bluuebunny/crossref_metadata_2025 huggingface dataset:
A novel approach to software quality risk management
Authors: Bubevski Vojo
Published: January 2013

Software quality is very important in today's competitive business environment. It is a critical constraint on software projects. Software organizations’ major objectives are delivering products on time and achieving quality goals. Quality is directly dependent on software processes, which are inherently variable and uncertain, involving substantial risk. Managing quality risk is an important challenge. The conventional approach to quality risk management for ongoing software processes has two major deficiencies: static analytic models are used, and structured methodologies to enhance processes and improve quality are not systematically applied. This new practical method uses Six Sigma and Monte Carlo Simulation for ongoing quality risk management. DMAIC (Define, Measure, Analyse, Improve, Control) is systematically applied as a tactical framework to enhance the process and improve quality. Simulation predicts quality (reliability) at the expected process end and identifies and quantifies risk. DMAIC is a verified structured methodology for systematic process and quality improvements. Monte Carlo Simulation is superior to conventional risk models. These synergetic enhancements eliminate observed deficiencies. The method has been successfully proven and applied practically on real in‐house projects. Substantial savings, quality and customer satisfaction have been achieved. An application on an internal project and obtained results are presented. The method is simplistically elaborated on a published third‐party project answering key research questions from practical perspectives. This CMMI® compliant method offers important benefits including savings, quality and customer satisfaction. Copyright © 2013 John Wiley & Sons, Ltd.
D-brane instantons on non-Spin cycles
Authors: Berglund Per , García-Etxebarria Iñaki
Published: January 2013

Abstract

We show that non-Spin cycles in type IIB Calabi-Yau orientifold compactifications with vanishing B field naturally support orientifold-invariant D-brane instantons. These instantons, associated to the holomorphic cotangent bundle of the non-Spin cycle, can lead to non-perturbative corrections to the superpotential.
TG13 indications and techniques for biliary drainage in acute cholangitis (with videos)
Authors: Itoi Takao , Tsuyuguchi Toshio , Takada Tadahiro , Strasberg Steven M. , Pitt Henry A. , Kim Myung‐Hwan , Belli Giulio , Mayumi Toshihiko , Yoshida Masahiro , Miura Fumihiko , Büchler Markus W. , Gouma Dirk J. , Garden O. James , Jagannath Palepu , Gomi Harumi , Kimura Yasuyuki , Higuchi Ryota
Published: January 2013

The Tokyo Guidelines of 2007 (TG07) described the techniques and recommendations of biliary decompression in patients with acute cholangitis. TG07 recommended that endoscopic transpapillary biliary drainage should be selected as a first‐choice therapy for acute cholangitis because it is associated with a low mortality rate and shorter duration of hospitalization. However, TG07 did not include the whole technique of standard endoscopic transpapillary biliary drainage, for example, biliary cannulation techniques including contrast medium‐assisted cannulation, wire‐guided cannulation, and treatment of duodenal major papilla using endoscopic papillary balloon dilation (EPBD). Furthermore, recently single‐ or double‐balloon enteroscopy‐assisted biliary drainage (BE‐BD) and endoscopic ultrasonography‐guided biliary drainage (EUS‐BD) have been reported as special techniques for biliary drainage. Nevertheless, the updated Tokyo Guidelines (TG13) recommends that endoscopic drainage should be first‐choice treatment for biliary decompression in patients with non‐surgically altered anatomy and suggests that the choice of cannulation technique or drainage method (endoscopic naso‐biliary drainage and stenting) depends on the endoscopist's preference but EST should be selected rather than EPBD from the aspect of procedure‐related complications. In terms of BE‐BD and EUS‐BD, although there are many reports on the their usefulness, they should be performed by skilled endoscopists in high‐volume institutes, who are good at enteroscopy or echoendosonography, respectively, because procedures and devices are not yet established.
Comparison of Lipid Extraction from Microalgae and Soybeans with Aqueous Isopropanol
Authors: Yao Linxing , Lee Show‐Ling , Wang Tong , Gerde Jose A.
Published: January 2013

The extraction efficiency of microalgae lipids with aqueous isopropanol (IPA) was investigated and compared with the extraction of oil from full‐fat soy flour. The effects of the type of microalgae (Scenedesmus sp. and Schizochytrium limacinum), cell rupture, and IPA concentration on the yield of oil and non‐lipid biomass were determined. The oil yield from intact cells of Scenedesmus was 86–93 % with 70, 88, or 95 % (by wt) IPA. Ultrasonic cell rupture prior to oil extraction decreased the oil yield of Scenedesmus to 74 % when extracting with 70 % IPA. The oil yield from intact cells of S. limacinum was <23 % regardless of the IPA concentration, but ruptured cells gave a 94–96 % oil yield with 88 or 95 % IPA. The different response of the two microalgae to extraction with IPA is possibly caused by differences in the cell wall structure and type and amount of polar lipids. The oil yield from soy flour with 88 and 95 % IPA was 93–95 %, which was significantly greater than yields with 50 and 70 % IPA. Cell rupture had no effect on soy flour extraction. In general, the oil yield from the ruptured cells of both microalgae and soy flour increased with increasing IPA concentration.
A Hajós-like theorem for weighted coloring
Authors: Araujo J. , Linhares Sales C.
Published: January 2013

The Hajós’ Theorem (Wiss Z Martin Luther Univ Math-Natur Reihe, 10, pp 116–117, 1961) shows a necessary and sufficient condition for the chromatic number of a given graph
$$G$$
to be at least
$$k$$
:
$$G$$
must contain a
$$k$$
-constructible subgraph. A graph is
$$k$$
-constructible if it can be obtained from a complete graph of order
$$k$$
by successively applying a set of well-defined operations. Given a vertex-weighted graph
$$G$$
and a (proper)
$$r$$
-coloring
$$c=\{C_1, \ldots , C_r\}$$
of
$$G$$
, the weight of a color class
$$C_i$$
is the maximum weight of a vertex colored
$$i$$
and the weight of
$$c$$
is the sum of the weights of its color classes. The objective of the Weighted Coloring Problem [7] is, given a vertex-weighted graph
$$G$$
, to determine the minimum weight of a proper coloring of
$$G$$
, that is, its weighted chromatic number. In this article, we prove that the Weighted Coloring Problem admits a version of the Hajós’ Theorem and so we show a necessary and sufficient condition for the weighted chromatic number of a vertex-weighted graph
$$G$$
to be at least
$$k$$
, for any positive real
$$k$$
.
Resistance of brain glucose metabolism to thiopental‐induced CNS depression in newborn piglets
Authors: Walter Bernd , Eiselt Michael , Cumming Paul , Xiong Guoming , Hinz Rainer , Uthe Susanne , Brust Peter , Bauer Reinhard
Published: January 2013

The transition from mild sedation to deep anaesthesia is marked by the phenomenon of burst suppression (BS). FDG‐PET studies show that the cerebral metabolic rate for glucose (CMRglc) declines dramatically with onset of BS in the adult brain. Global CMRglc increases substantially in the post‐natal period and achieves its maximum in preadolescence. However, the impact of post‐natal brain development on the vulnerability of CMRglc to the onset of BS has not been documented.

Therefore, cerebral blood flow and metabolism were measured using a variant of the Kety–Schmidt method, in conjunction with quantitative regional estimation of brain glucose uptake by FDG‐PET in groups of neonate and juvenile pigs, under a condition of light sedation or after induction of deep anaesthesia with thiopental. Quantification of simultaneous ECoG recordings was used to establish the correlation between anaesthesia‐related changes in brain electrical activity and the observed cerebrometabolic changes.

In the condition of light sedation the magnitude of CMRglc was approximately 20% higher in the older pigs, with the greatest developmental increase evident in the cerebral cortex and basal ganglia (P < 0.05). Onset of BS was associated with 20–40% declines in CMRglc. Subtraction of the mean parametric maps for CMRglc showed the absolute reductions in CMRglc evoked by thiopental anaesthesia to be two‐fold greater in the pre‐adolescent pigs than in the neonates (P < 0.05). Thus, the lesser suppression of brain energy demand of neonate brain during deep anaesthesia represents a reduced part of thiopental suppressing brain metabolism in neonates.
Potentially avoidable hospitalizations among Medicare beneficiaries with Alzheimer's disease and related disorders
Authors: Lin Pei‐Jung , Fillit Howard M. , Cohen Joshua T. , Neumann Peter J.
Published: January 2013

Background

Individuals with Alzheimer's disease and related disorders (ADRD) have more frequent hospitalizations than individuals without ADRD, and some of these admissions may be preventable with proactive outpatient care.

Methods

This study was a cross‐sectional analysis of Medicare claims data from 195,024 fee‐for‐service ADRD beneficiaries aged ≥65 years and an equal number of matched non‐ADRD controls drawn from the 5% random sample of Medicare beneficiaries in 2007–2008. We analyzed the proportion of patients with potentially avoidable hospitalizations (PAHs, as defined by the Medicare Ambulatory Care Indicators for the Elderly) and used logistic regression to examine patient characteristics associated with PAHs. We used paired t tests to compare Medicare expenditures by ADRD status, stratified by whether there were PAHs related to a particular condition.

Results

Compared with matched non‐ADRD subjects, Medicare beneficiaries with ADRD were significantly more likely to have PAHs for diabetes short‐term complications (OR = 1.43; 95% CI 1.31–1.57), diabetes long‐term complications (OR = 1.08; 95% CI = 1.02–1.14), and hypertension (OR = 1.22; 95% CI 1.08–1.38), but less likely to have PAHs for chronic obstructive pulmonary disease (COPD)/asthma (OR = 0.85; 95% CI 0.82–0.87) and heart failure (OR = 0.89; 95% CI 0.86–0.92). Risks of PAHs increased significantly with comorbidity burden. Among beneficiaries with a PAH, total Medicare expenditures were significantly higher for those subjects who also had ADRD.

Conclusion

Medicare beneficiaries with ADRD were at a higher risk of PAHs for certain uncontrolled comorbidities and incurred higher Medicare expenditures compared with matched controls without dementia. ADRD appears to make the management of some comorbidities more difficult and expensive. Ideally, ADRD programs should involve care management targeting high‐risk patients with multiple chronic conditions.
Gustav Freytag, theReichsgründung,and the National Liberal Origins of theSonderweg
Authors: Ping Larry L.
Published: January 2013

In the opening passage of his memoirs, Gustav Freytag (1816–95) mused that the secret of his literary success came down to the fact that his life “on the whole, resembles the life experience (Bildungsgang) of thousands of my contemporaries.” A century of scholarship on theKaiserreichhas validated Freytag's claim to serve as crown witness for thementalitéof his generation.
Air Wars and Empire: Gandhi and the Search for a Usable Past in Postwar Germany
Authors: Oppenheimer Andrew
Published: January 2013

A manWho sets a house ablaze is anArsonist who is prosecuted and punishedUnder the law.A manWho turns entire cities toDebris and ash is aConquerorWho is hailed as a hero.This poem, published in an early postwar edition of the German-language pacifist journalDer Friedensbote, encapsulates a vision of modern war that circulated among German peace activists during the late 1940s and early 1950s. It is an image of war as arson on a massive scale, of strategic bombing campaigns that burned cities and civilians to ashes. Of course, the less than subtle allusion here is to the aerial assaults carried out on select German cities by British and American forces during World War II, which inflicted tremendous damage, population displacement, and loss of life in and around cities including Berlin, Cologne, Dresden, Hamburg, and throughout the Ruhr industrial basin. Some 131 locales were subject to and an estimated 500,000 to 600,000 deaths resulted from air assaults that used the tactics and weaponry of area and firebombing. Read with this recent history in mind, the stanza evokes images of the wartime Allies as criminals and Germans as their civilian victims.
Modelling of yields and soil nitrogen dynamics for crop rotations by HERMES under different climate and soil conditions in the Czech Republic
Authors: HLAVINKA P. , TRNKA M. , KERSEBAUM K. C. , ČERMÁK P. , POHANKOVÁ E. , ORSÁG M. , POKORNÝ E. , FISCHER M. , BRTNICKÝ M. , ŽALUD Z.
Published: January 2013

The crop growth model HERMES was used to model crop rotation cycles at 12 experimental sites in the Czech Republic. A wide range of crops (spring and winter barley, winter wheat, maize, potatoes, sugar beet, winter rape, oats, alfalfa and grass), cultivated between 1981 and 2009 under various soil and climatic conditions, were included. The model was able to estimate the yields of field crop rotations at a reasonable level, with an index of agreement (IA) ranging from 0·82 to 0·96 for the calibration database (the median coefficient of determination (R2) was 0·71), while IA for verification varied from 0·62 to 0·93 (median R2 was 0·78). Grass yields were also estimated at a reasonable level of accuracy. The estimates were less accurate for the above-ground biomass at harvest (the medians for IA were 0·76 and 0·72 for calibration and verification, respectively, and analogous medians of R2 were 0·50 and 0·49). The soil mineral nitrogen (N) content under the field crops was simulated with good precision, with the IA ranging from 0·49 to 0·74 for calibration and from 0·43 to 0·68 for verification. Generally, the soil mineral N was underestimated, and more accurate results were achieved at locations with intensive fertilization. Simulated yields, soil N, water and organic carbon (C) contents were compared with long-term field measurements at Němčice, located within the fertile Moravian lowland. At this station, all of the observed parameters were reproduced with a reasonable level of accuracy. In the case of the organic C content, HERMES reproduced a decrease ranging from c. 85 to 77 tonnes (t)/ha (for the 0–0·3 m soil layer) between the years 1980 and 2007. In spite of its relatively simple approach and restricted input data, HERMES was proven to be robust across various conditions, which is a precondition for its future use for both theoretical and practical purposes.
Industrial Policy
Authors: Brady Robert A.
Published: January 2013

German imperial expansion, begun under Bismarck, swiftly unfolded with the aid of industrial technology along lines that adapted it ideally for the organization, not of a national state, but of a continent or even the world. In this fact lies a major contrast between the neo-mercantilism which followed 1879 and the cameralism borrowed from the Burgundians by the German princes in the sixteenth century. The system extolled by Becher was designed to meet the power needs of dwarf states perpetually torn, by a mule-and-the-two-haystacks dilemma, between the fractioning particularism of the lay princes on the one hand, and the centrifugal pull of a meaningless imperial universalism on the other. The ‘new age’ for which, as Schulze- Gavaernitz once remarked, Bismarck played the role of ‘obstetrician,’ employed a machinery for internal unification that fitted the national—in particular the German—state almost as badly as it did the political fractions of which it was compounded.
Executive Compensation and Business Policy Choices at U.S. Commercial Banks
Authors: DeYoung Robert , Peng Emma Y. , Yan Meng
Published: January 2013

We show that contractual risk-taking incentives for chief executive officers (CEOs) increased at large U.S. commercial banks around 2000, when industry deregulation expanded these banks’ growth opportunities. Our econometric models indicate that CEOs responded positively to these incentives, especially at the larger banks best able to take advantage of these opportunities. Our results also suggest that bank boards responded to higher-than-average levels of risk by moderating CEO risk-taking incentives; however, this feedback effect is absent at the very largest banks with strong growth opportunities and a history of highly aggressive risk-taking incentives.
Kimura's disease: clinicopathological study of eight cases
Authors: Punia R P S , Aulakh R , Garg S , Chopra R , Mohan H , Dalal A
Published: January 2013

Background:

Kimura's disease is a rare, localised, chronic inflammatory disease. This benign disease involves subcutaneous tissues, the major salivary gland, and lymph nodes primarily in the head and neck area.

Method:

Clinical details and stained slides of all cases reported as Kimura's disease over a 10-year period were reviewed.

Results:

There were eight cases of Kimura's disease. The mean age of patients was 22.8 years. One case showed associated nephrotic syndrome and two cases were associated with peripheral blood eosinophilia. All cases showed the typical histopathological features of Kimura's disease.

Conclusion:

Kimura's disease was first reported in China in 1937. The cause of Kimura's disease is unknown and many theories have been proposed. The eight cases reported here illustrate some of the variations in the mode of presentation and in the histological features of Kimura's disease. Kimura's disease should be considered in the differential diagnosis of patients who present with head and neck swellings and lymphadenopathy, and investigated accordingly.
Niesslia echinoides (Niessliaceae, Ascomycota), a new lichenicolous fungus on Erioderma from Bolivia
Authors: ETAYO Javier , FLAKUS Adam , KUKWA Martin
Published: January 2013

Niesslia echinoides Etayo, Flakus & Kukwa sp. nov. is described from Bolivia from the corticolous thallus of Erioderma barbellatum. The fungus is characterized by large ascospores usually breaking into halves within the asci, strongly setose and aggregated ascomata, usually simple setae, and no damage caused to the host thallus.
Two new species of saxicolousPyxinewith yellow medulla from southern India
Authors: NAYAKA Sanjeeva , UPRETI Dalip K. , PONMURUGAN Ponnusamy , AYYAPPADASAN Ganesan
Published: January 2013

Two new species ofPyxinewith yellow medulla from saxicolous habitats are described as new to science. The new speciesP. punensishas an isidiate, UV+ yellow thallus with 0·3–0·6 mm wide lobes.Pyxine yercaudensishas smaller ascospores (13–16×6–7 µm), lacks vegetative propagules and lacks lichexanthone.
Algal stacks and fungal stacks as adaptations to high light in lichens
Authors: VONDRÁK Jan , KUBÁSEK Jiří
Published: January 2013

Some lichens that occur in mountains and arid regions have developed an unusual anatomy resembling window-leaved plants. In these lichens, algal cells occur in thick vertical stacks (algal stacks) separated by vertical channels of light-transferring fungal hyphae (fungal stacks). We present experimental evidence that this anatomy permits higher rates of area-based CO2 assimilation in strong light, but that it also leads to higher respiration resulting in higher compensation irradiance. The net effect of this anatomy must be beneficial in regions of high insolation, as it has arisen many times in different parts of the world, and in unrelated lichens, and these lichens often dominate the communities in which they occur.
A census and status review of the Endangered François' langur Trachypithecus francoisi in Chongqing, China
Authors: Han Zongxian , Hu Gang , Wu Shaobin , Cao Changlei , Dong Xin
Published: January 2013

From September 2009 to September 2010 we undertook a survey of the Endangered François’ langur Trachypithecus francoisi in south-east Chongqing to compare the species' present status with historical records from the 1990s. Based on a literature review, interviews with local people and our survey we found François’ langurs in only three isolated sites, across four counties, with a total area of occurrence of c. 57 km2. The total population was estimated to be c. 200 individuals in 27 mixed sex groups. There were 21 groups (149 individuals) within a reserve (Jinfoshan), and four groups (36) in Furongjiang and two groups (13) in Heishangu were not within any reserve. The primary threat to the langur is habitat loss caused by traditional firewood use and agricultural encroachment but there is also increasing loss of forest to hydroelectric projects and construction of tourism infrastructure and facilities such as highways, hotels and telephone lines. The three sites in southern Chongqing province are adjacent to four areas in north-east Guizhou province that contain c. 60% of the wild population of the species in China. The seven sites combined are the main stronghold of this species and the geographical proximity of the sites raises the possibility of setting up ecological corridors between some of them.
Quantifying the effects of diverse private protected area management systems on ecosystem properties in a savannah biome, South Africa
Authors: Child Matthew F. , Peel Michael J. S. , Smit Izak P. J. , Sutherland William J.
Published: January 2013

The effects of management on ecosystem diversity, structure and function must be understood for the sustainable integration of conservation and development. A potential source of experimentation and learning in ecosystem management is the array of private protected areas worldwide. Autonomous management systems can be seen as natural experiments, presenting an opportunity to explore the consequences of manipulating ecosystem properties. By quantifying management diversity and developing an index of management intensity we assessed the ecological correlates of private protected area management within the savannah biome in South Africa. Management intensity is positively correlated with herbivore density, predator density and ecotourism lodge density and negatively with herbivore community heterogeneity, reintroduction success and primary productivity at the local protected area scale. However, these trade-offs are tantamount to functional diversity as different management systems play unique roles in the regional socio-ecological and socio-economic systems, which range from animal production centres high in commercial value to low density areas that may sustain landscape processes. Furthermore, fenced private protected areas are necessary to safeguard rare species that cannot sustain viable populations in altered ecosystems. Thus, when considered at the regional scale, a private protected area network that constitutes a patchwork of management systems will create a coincident conservation and production landscape. We suggest that maintaining management heterogeneity will provide net benefits to biodiversity and potentially galvanize locally sustainable, wildlife-based economies.
ESTIMATION-ADJUSTED VAR
Authors: Gourieroux Christian , Zakoïan Jean-Michel
Published: January 2013

Standard risk measures, such as the value-at-risk (VaR), or the expected shortfall, have to be estimated, and their estimated counterparts are subject to estimation uncertainty. Replacing, in the theoretical formulas, the true parameter value by an estimator based on n observations of the profit and loss variable induces an asymptotic bias of order 1/n in the coverage probabilities. This paper shows how to correct for this bias by introducing a new estimator of the VaR, called estimation-adjusted VaR (EVaR). This adjustment allows for a joint treatment of theoretical and estimation risks, taking into account their possible dependence. The estimator is derived for a general parametric dynamic model and is particularized to stochastic drift and volatility models. The finite sample properties of the EVaR estimator are studied by simulation and an empirical study of the S&P index is proposed.
TEXT CHARACTERISTICS OF TASK INPUT AND DIFFICULTY IN SECOND LANGUAGE LISTENING COMPREHENSION
Authors: Révész Andrea , Brunfaut Tineke
Published: January 2013

This study investigated the effects of a group of task factors on advanced English as a second language learners’ actual and perceived listening performance. We examined whether the speed, linguistic complexity, and explicitness of the listening text along with characteristics of the text necessary for task completion influenced comprehension. We also explored learners’ perceptions of what textual factors cause difficulty. The 68 participants performed 18 versions of a listening task, and each task was followed by a perception questionnaire. Nine additional students engaged in stimulated recall. The listening texts were analyzed in terms of a variety of measures, utilizing automatized analytical tools. We used Rasch and regression analyses to estimate task difficulty and its relationship to the text characteristics. Six measures emerged as significant predictors of task difficulty, including indicators of (a) lexical range, density, and diversity and (b) causal content. The stimulated recall comments were more reflective of these findings than the questionnaire responses.
Caritas in Veritate and Critical Theory: Locating Religion in the Public Sphere
Authors: Brigham Erin
Published: January 2013

This paper explores the debate on the public voice of religion from two perspectives: contemporary critical theory and the Catholic social tradition. Using the recent conversation between Jürgen Habermas and Joseph Ratzinger (Pope Benedict XVI) on religion and secularization as a point of entry, I argue that critical theory offers a framework of rationality that promotes dialogue between religious and secular individuals while the Catholic social tradition's principle of subsidiarity provides a practical model for how this dialogue can occur.
An X-ray diffraction study of filters used for atmospheric aerosol sampling
Authors: Santos M. D. , Matos J. R. , Carvalho L. R. F. , Sant’Agostino L. M. , Korn M.
Published: January 2013

Characterization of some crystalline species present in atmospheric particulate matter can be investigated by an X-ray diffractometric technique. According to the analytical strategy, filtering media suitable for collecting airborne particles must be selected. In order to recognize the X-ray diffraction patterns and consequently the inherent analytical interference of filtering media, a systematic X-ray diffraction evaluation of several substrates was performed. Although artifact formation during ambient sampling can occur on quartz and glass fiber filters, these filters were also included in the diffractometric characterization. In this work, commercial filters were thermally treated and submitted to X-ray diffraction scanning. Results have shown pronounced variations in the diffractometric profiles of each thermally treated substrate. The selection criteria for choosing the filtering media was established by considering their chemical and physical properties and also the crystalline species to be collected on them.
X-ray powder diffraction data and thermal expansion of N(CH3)4Br and N(CH3)4I
Authors: Xenopoulos Alex , Ralle Martina , Habenschuss Anton , Wunderlich Bernhard
Published: January 2013

The X-ray powder diffraction patterns for tetramethylammonium bromide and iodide have been measured from near room temperature up to decomposition/sublimation. The unit cell parameters were refined and the coefficients of thermal expansion calculated. Unlike N(CH3)4Cl [M. Stammler, J. Inorg. Nucl. Chem. 29, 2203–2221 (1967)], N(CH3)4Br (1Br) and N(CH3)4I (1I) undergo no solid–solid transitions before decomposition/sublimation as was observed earlier by thermal analysis [S. S. Chang and E. F. Westrum, J. Chem. Phys. 36(9), 2420–2423 (1962); Coulter etal., J. Am. Chem. Soc. 62, 2845–2851 (1940); Xenopoulos etal., Mol. Cryst. Liq. Cryst. 214, 63–79 (1992)].
Crystal structure of Cr2[Ni(CN)4]3·10H2O
Authors: Ratuszna A. , Juszczyk S. , Malłecki G.
Published: January 2013

The crystal structure of Cr2[Ni(CN)4]3·10H2O has been determined on X-ray diffraction powder data by means of the Rietveld method. The starting model was based on the isomorphic, disordered structure of Mn3[Co(CN)6]2·12H2O. At room temperature the crystal is cubic, F4¯3m, a=10.097(6) Å, V=1029.4(5) Å3. The structure is disordered and contains 1.33 formula weights per unit cell. The Ni and Cr ions are coordinated by N and C atoms, respectively, forming octahedra linked by CN groups. The water molecules replace partly the chromium, carbon, and nitrogen positions in the crystal. The final R values are: Rwp=0.032 (Rexp=0.023), RB=0.088, and DW-Stat.=1.31 (DWexp=1.8).
X-ray powder diffraction data for ammonium manganese phosphate monohydrate
Authors: Gómez A. , Guerra-López J. , González R. , Pomés R.
Published: January 2013

Ammonium manganese phosphate monohydrate (NH4MnPO4.H2O) has been investigated by means of X-ray powder diffraction. The title compound is orthorhombic with unit-cell parameters a=5.7289(11), b=8.8167 (12), and c=4.9098 (8) Å.
Revised crystallographic data of K2MgGeO4 and K2CdGeO4 compounds
Authors: Colbeau-Justin C. , Wallez G. , Elfakir A. , Quarton M.
Published: January 2013

The two germanates K2MgGeO4 and K2CdGeO4 have been synthesized by solid-state reaction. These compounds are isostructural with K2ZnGeO4, space group Pca21 (No. 29), Z=8. Unit cell parameters were determined: for K2MgGeO4a=11.1810(11), b=5.5708(6), c=15.8694(16) Å, V=988.5(3) Å3 and for K2CdGeO4a=11.4777(24), b=5.7155(7), c=16.1732(17) Å, V=1061.0(5) Å3. Powder diffraction data are reported.
X-ray diffraction characterization of microstrain in some uranium alloys
Authors: Kimmel G. , Dayan D.
Published: January 2013

Taking advantage of the feasibility to obtain well-prepared surfaces, an extensive work has been done in studying X-ray diffraction line broadening effects from flat polycrystalline samples of uranium and uranium alloys. The broadening analysis has been used as a semiquantitative method for measuring inhomogeneity of alloying, hardness, and residual thermal stresses. Good correlation between the microstrain and the hardness was found after heat treatments and cold work. A comparable correlation was found between the microstrain in the supersaturated α-uranium phase quenched from the γ region, and the concentration of the alloying elements. The measured microstrain in the supersaturated α-uranium phase was used as a quantitative value for determination of the solubility limit of Ta and W in γ-uranium. As a result of this study it was found that the limit of solubility is approximately 2.6 and 2.0 at. % for Ta and W, respectively.
Crystal data for Cu2Th4(MoO4)9 and isostructural compounds
Authors: Launay S. , Quarton M.
Published: January 2013

Cu2Th4(MoO4)9 is cubic: a=14.4856(1) Å, space group I4¯3d, Z=4. Its crystal structure was recently determined using a single crystal. The results of chemical study allow one to reject the existence of Li4Th7(MO4)16 and La(MO4)(ReO4) compounds with M=Mo, W, reported as isostructural with Cu2Th4(MoO4)9. Precise X-ray powder patterns are established for Cu2Th4(MoO4)9 and isotypic compounds Li2Th4(MoO4)9, Li2Th4(WO4)9, and La4(MoO4)3(ReO4)6.
Use of Compton scattering measurements for attenuation corrections in Rietveld phase analysis with an external standard
Authors: Pratapa S. , O’Connor B. H. , Low I-M.
Published: January 2013

Mass attenuation coefficient corrections, for Rietveld phase analysis with an external compositional calibration standard, may be made using Compton scattering intensities measured by X-ray fluorescence spectrometry. The method is mainly useful for Rietveld phase analysis when mixing an internal standard is impossible or undesirable. The validity of the method has been demonstrated using a suite of alumina-zirconia powders of known composition. Also presented are results for a typical application—determination of phase composition depth profiles defining the graded compositional character of an aluminium titanate/zirconia-alumina ceramic composite.
X-ray powder diffraction data for cobalt tris-ethylenediamine bromide trihydrate and cobalt tris-ethylenediamine iodide hemihydrate
Authors: Wu Hongxiang , Ma Lidun
Published: January 2013

X-ray powder data are given for cobalt tris-ethylenediamine bromide trihydrate, [Co(en)3]Br3·3H2O, and cobalt tris-ethylenediamine iodide hemihydrate, [Co(en)3]I3·0.5H2O. Refined unit-cell parameters for [Co(en)3]Br3·3H2O are a=11.6949(4) Å and c=16.0640(12) Å in trigonal space group P3¯c1(165) or P3c1(158); volume =1902.72 Å3; figures of merit: M20=29, F30=55 (0.0138, 40). Refined unit-cell parameters for [Co(en)3]I3·0.5H2O are a=23.3580(14) Å, b=13.4739(4) Å, and c=11.5421(5) Å in orthorhombic space group Pca21(29) or Pcam(57); volume =3632.57 Å3; figures of merit: M20=37, F30=81 (0.0058, 64).
Powder diffraction data for the homeotypic intermetallic compounds (Co,Ni)4Al13(h) andCo2NiAl9
Authors: Gotzmann K. , Burkhardt U. , Ellner M. , Grin Yu.
Published: January 2013

Two homeotypical phases occur at the mole fractionxAl≈0.75 in the ternary system Co-Ni-Al: the pseudoternary intermetallic compound (Co,Ni)4Al13(h) (space groupC2/m, Pearson codemC(34-1.8)) [Notation, according to Parthéet al.(1993).TYPIX, Standardized Data and Crystal Chemical Characterization of Inorganic Structure Types(Springer, Berlin), Vol. 2, p. 269, Vol. 3, p. 1055]. For structures with partly occupied sites, the hybrid Pearson code is given as (the sum of the multiplicities of all, fully or partly occupied sites in the unit cell)−(number of structural vacancies in the unit cell)], and the ternary compoundCo2NiAl9(Immm,oI96). Powder diffraction data are reported for these materials or phases—from the viewpoint of phase equilibria—immediately neighboring phases.
Combining CDIF and PDF information in problem solving: Crystal structure of a corrosion deposit, hexaaquairon(II) trifluoromethanesulfonate
Authors: Kaduk J. A.
Published: January 2013

The title compound was identified as the major phase in a corrosion deposit by indexing its powder pattern, and locating an isostructural vanadium(II) compound in the NIST Crystal Data Identification File. The identity of the compound was confirmed by a Rietveld refinement. Hexaaquairon(II) trifluoromethanesulfonate crystallizes in the monoclinic space group C2/m, with a=18.6415(14), b=6.9291(5), c=6.5938(5) Å, β=104.742(6)°, V=823.68(10) Å3, and Z=2. The structure consists of alternating layers of octahedral hexaaquairon(II) cations and triflate anions. The cations and anions are linked into layers parallel to the bc plane by hydrogen bonds. Each water molecule donates two protons to sulfonate oxygens, and each sulfonate oxygen acts as an acceptor of two protons. A reference powder diffraction pattern is reported.
X-ray diffraction analysis of (Na0.6H0.4)(Ta0.7Nb0.3)O3
Authors: Singh Raj P. , Miller Michael J. , Dann Jeffrey N.
Published: January 2013

(Na0.6H0.4)(Ta0.7Nb0.3)O3 was synthesized by heating a tantalum/niobium scale containing two sodium tantalate/niobate phases :Na14(Ta0.7Nb0.3)12O37·31H2O and NaH2Ta0.7Nb0.3O4. Powder X-ray diffraction data for (Na0.6H0.4)(Ta0.7Nb0.3)O3 indicated it to be a cubic perovskite (ABO3/ReO3 type structure) with unit cell a0=3.894 Å. The compound is analogous to the mineral lueshite (NaNbO3), and to the high temperature forms of NaTaO3 and NaNbO3. Powder diffraction data for (Na0.6H0.4)(Ta0.7Nb0.3)O3 will be useful in the analysis of synthetic tantalum/niobium concentrates.
Environmentally controlled sample stage for Scintag's six-position XRD sample changer
Authors: Buckner Charles , Kidd Christopher , Long Stacey , Varlashkin Peter , Zhu Jim
Published: January 2013

An environmentally controlled sample stage for Scintag's six-position XRD sample changer is described. Unlike the commercial environmental stages for Scintag XRD units which require removal of the sample changer, and installation and alignment of the sample stage, the stage described herein is designed to fit directly on the sample changer with no realignment. Such a stage provides for more convenient operation for an X-ray diffractometer with multiple users in both routine (ambient environment) and nonroutine (nonambient temperatures up to 250 °C and varying relative humidities) modes. In addition, the new stage uses a window made of a material that is safer to machine compared to beryllium (which is toxic).
Determination of the crystal structure of CuSnTi by full profile Rietveld analysis
Authors: Weitzer F. , Perring L. , Shibayanagi T. , Naka M. , Schuster J. C.
Published: January 2013

The crystal structure of the new ternary phase CuSnTi is determined by full profile Rietveld analysis of the powder diffractogram. 104 reflections were refined to a final RBragg value of 5.60%. CuSnTi crystallizes with the spacegroup P63/mmc and is isostructural to InNi2. The lattice parameters are a=0.439 555(5) nm and c=0.601 505(9) nm.
Cover to provide an inert atmosphere for XRD sample changers
Authors: Buckner Charles , Varlashkin Peter
Published: January 2013

A cover for Scintag's six and twelve-position sample changers was designed and constructed to provide an inert atmosphere for samples during diffraction batch runs. The cover is equipped with inlet and outlet gas ports and fits over the top of the sample changer. Using dry nitrogen gas fed into the inlet of the cover, a sample of lithium bromide was protected from atmospheric moisture for greater than 18 h. The cover uses a thin Mylar window that gives greater than 95% transparency for copper K-alpha X-rays. The cover is a simple device that allows our lab to run multiple moisture-sensitive samples in a batch mode. The simple approach and materials used in the construction of the cover could be applied to other brands of powder diffractometers.
Powder X-ray diffraction data of BaFI
Authors: Subramanian N. , Chandra Shekar N. V. , Sahu P. Ch. , Yousuf Mohammad , Govinda Rajan K.
Published: January 2013

This paper presents the powder X-ray diffraction data of BaFI recorded using a Guinier diffractometer and Mo Kα1 radiation. BaFI stabilizes at standard temperature of 25 °C and standard-atmospheric pressure (STP) in the tetragonal structure (space group P4/nmm; No. 129) with lattice parameters a=4.660(1) Å and c=7.960(5) Å. Our observed pattern is different from the existing observed powder diffraction data reported in the PDF files 34-716 (Beck, 1976) and 31-139 (), but matches almost perfectly with the pattern calculated by us from the reported single crystal data ( and with the calculated data available in PDF file 70-0481. Further, our data provide a number of new Bragg peaks extending beyond the range of d values available in the existing PDF files.
A proposed change to determining the Pearson Symbol Code
Authors: Bayliss Peter
Published: January 2013

More isostructural compounds would have the same Pearson Symbol Code (PSC) if the hydrogen atom is not counted in computing the numeric portion of the PSC.
Texture Correction in Phase Analysis and Thin Film Studies
Authors: Valvoda V.
Published: January 2013

A method is presented for correction of integrated X-ray intensities for preferred orientation of crystallites in a spinning specimen. It is based upon direct integration of the data obtainable from pole distribution of a single crystallographic plane. This pole distribution can be determined from measurements on a texture goniometer or, in special cases, from an ω-scan or from intensities of all reflections measured on a powder diffractometer only. The method was tested on four samples of magnesium and magnesium cadmium alloys and applied to hexagonal BN and α-Ti(N) surface layers. The method was developed with regard to application in phase analysis and thin film studies.
Powder X-Ray Diffraction Data of Florencite-(Nd)
Authors: Fitzpatrick Joan
Published: January 2013

Florencite-(Nd) [(Nd,Ce)Al3(PO4)2(OH)6], was first described by Milton and Bastron (1971) from fracture surfaces in weathered cherts of the Franciscan Complex, south of Sausalito in Marin County, California. Florencite-(Nd) occurred there as a moderate-brown pulverulent earthy material; individual crystals were not discernible under microscopic examination. A semi-quantitative spectrographic analysis showed the presence of Nd (3 wt. %) and Ce (0.5 wt. %). No powder data for florencite-(Nd) exists in the current powder diffraction file.
Illustrative Mineralogical Applications of the Level III Powder Diffraction File Computer Database Implemented in a Data Management Environment
Authors: Garvey Roy G. , McCarthy Gregory J.
Published: January 2013

The Level III Powder Diffraction File Computer Database can be used for many purposes beyond phase identification. The data file as received from the ICDD must be implemented via a data management system for efficient utilization. The results of one such implementation, and applications using the Mineral Powder Diffraction Subfile are reported. The applications include studies of space group statistics and density distributions as well as searches for cubic sulfide and uniaxial potentially pyroelectric minerals.
A Simple System for Enhanced Data Collection From a Powder Diffractometer
Authors: Rogers K. D. , Lane D. W.
Published: January 2013

A Siemens D500 powder diffractometer has been modified to accommodate data collection and storage by an IBM microcomputer. The interface mechanism, described in detail, is simple, versatile and relatively low cost. The system performance is evaluated and further enhancements suggested.
Synthesis and X-Ray Powder Diffraction Analysis of a New Metallic (but not Superconducting) Copper Oxide: La1.67Sr0.33Cu2O5
Authors: Huang T. C. , Nazzal A. I. , Tokura Y. , Torrance J. B. , Karimi R.
Published: January 2013

An ordered oxygen-deficient tetragonal perovskite compound La1.67Sr0.33Cu205 has been synthesized by solid state reaction. X-ray powder diffraction was used to characterize the material. Unit cell parameters least-squares refined from non-overlapping diffraction peaks are a = 10.8696(9)Å, c = 3.8612(6)Å and V = 456.2(1)Å3. X-ray powder data have been obtained for the experimentally observed peak positions corrected for systematic errors, the relative intensities, values of dexp and the Miller indices of both resolved and overlapping reflections. The experimental diffraction pattern was compared to computer simulated patterns calculated from the neutron crystal structure parameters and the non-oxygen-deficient LaCuO3 compound. The figure of merit is F30 = 33.8 (0.018, 48).
Analysis of the X-Ray Powder Diffraction Pattern of Neodymium Ammonium Hydroxynitrate: Nd(OH)2NO3.(NH4NO3)0.5.H2O
Authors: Louër D. , Deneuve F. , Ouillon N. , David C.
Published: January 2013

Neodymium ammonium hydroxynitrate, Nd(OH)2NO3.(NH4NO3)0.5.H2O, has been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs, from diffractometer data obtained with strictly monochromatic CuKα1 radiation. An I orthorhombic cell was found: a = 24.577 (4) Å, b = 7.1488 (16) Å, c = 3.8211 (9) Å. It is shown that the h 1 1 reflections present a selective line broadening.
The Detection and Quantification of Low Concentrations of Quartz in Dolostone by X-Ray Powder Diffraction
Authors: Emig Jeffrey A. , Smith Deane K.
Published: January 2013

Quartz in dolostone can be determined quantitatively down to 0.03 weight percent using a standard preparation procedure for the sample and absolute integrated intensity measurements. Measurement reproducibilities of 3.2% were obtained. Calibration curves determined by spiking low-quartz dolostone allowed concentrations of 2.0 weight percent or lower to be established. Higher concentrations of quartz in some related soil samples were determined by comparing the absolute integrated intensity with that obtained from a pure quartz sample prepared in the same manner.
X-Ray Powder Diffraction Data for 2-nitro-l-phenyl-prop-l-ene
Authors: Rendle D.F. , Glazier E.J. , Cain P.M. , Connett B.E.
Published: January 2013

X-ray powder diffraction data for the compound 2-nitro-l-phenyl-prop-l-ene, C9H9NO2 are reported. The crystals are orthorhombic and the space group is Pbca[61], with a = 7.576(2), b = 19.452(5), c = 11.269(4)Å, Z = 8 Dx = 1.305, Dm = 1.300(2) g/cm3.
Application of the overlap integral in X-ray diffraction powder pattern recognition
Authors: Lawton Stephen L. , Bartell Lawrence S.
Published: January 2013

Use of the overlap integral in X-ray diffraction (XRD) powder pattern recognition of crystalline materials is presented. The mathematical expression, derived specifically for diffraction data, provides a measure of similarity between two patterns. Each pattern is represented by a normalized mathematical function. The index of similarity, or overlap integral, indicates how faithfully the two functions overlap and ranges from zero to unity, reaching the latter limit when the two patterns become identical.
Microstructural effect on corrosion of tungsten in SF6 environment
Authors: Wong-Ng W. , Choi C. S. , Cook L. P.
Published: January 2013

Reaction of tungsten (W) with SF6 has been studied using two types of samples. The first type (type I) consisted of rods fabricated by a drawing process and the second type (type II) consisted of square plates cut from a hot pressed billet. After the corrosion experiments, scanning electron microscopy (SEM) examination of the type I sample indicated the presence of deep pits parallel to the rod axis. X-ray analysis of these rods showed preferred orientation. Pole figure measurement was subsequently conducted to quantify the preferred orientation by using neutron diffraction. A significant orientation effect on the corrosion process was found, possibly originating from the considerable granular elongation parallel with the rod axis produced during the fabrication process. In contrast, the type II sample showed no directional corrosion and insignificant preferred orientation.
Structural data of the tysonite-type superstructure modification β-PrF3 from X-ray powder and electron single-crystal diffraction
Authors: Greis O. , Ziel R. , Breidenstein B. , Haase A. , Petzel T.
Published: January 2013

The crystal structure of the tysonite-type superstructure of β-PrF3 has been studied by X-ray powder diffraction and high-energy electron diffraction from single crystals. The crystal data are: a = 7.0795(1) Å, c = 7.2380(2) Å, Z = 6, hexagonal system, space group (No. 165), ρcalc = 6.28 g cm−3. Atomic parameters and interatomic distances are presented from the final refinement with Rconv = 1.72%.
On the microstructure of a high-pressure phase of W3O8
Authors: Louër D. , Sundberg M. , Werner P.-E. , Filonenko V. P. , Zibrov I. P.
Published: January 2013

The structures of two high-pressure tungsten oxides, previously studied by high-resolution electron microscopy, were confirmed by Rietveld refinement based on X-ray powder diffraction data. The phases have identical stoichiometry, W3O8, and extremely narrow 00l reflections in common. The microstructure of the dominant phase was investigated by means of X-ray powder diffraction pattern decomposition. A Williamson–Hall plot revealed that all lines, except the 00l reflections, were broadened solely due to the crystallite size effect. A cylindrical model is used to describe the average form of the coherently diffracting domains. The height of the cylinder, whose axis is colinear with the crystallographic c parameter of both phases, is considered “infinite,” and the average diameter of the cylinder model is 655(22) Å. A quantitative confirmation is obtained from electron microscopy.