bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bi7‐δNi2Br5 (δ ≈ 1/9) ‐ ein quasi‐eindimensionales Metall mit modulierter Kristallstruktur
Authors: Wahl Bernhard U. , Doert Thomas , Söhnel Tilo , Ruck Michael 
Published: February 2005

AbstractSchwarze Kristallnadeln des ternären Subbromids Bi7‐δNi2Br5 (δ ≈ 1/9) werden in hoher Ausbeute durch Abkühlen einer Schmelze von Bi, BiBr3 und Ni von 520 °C nach 320 °C erhalten. Aus Röntgenbeugungsuntersuchungen an Pulvern und Einkristallen geht hervor, dass Bi7‐δNi2Br5 bei Raumtemperatur eine modulierte Kristallstruktur besitzt. Es treten zwei unterschiedliche Modulationsvarianten auf: Der Kristalltyp I ist durch den Modulationsvektor qI ≈ 8/9 · a* gekennzeichnet, Typ II durch qII ≈ 1/9 · a* + 1/2 · b*. Die gemittelten Strukturen, welche für beide Kristalltypen praktisch gleich sind, können in der orthorhombischen Raumgruppe Cmcm mit a = 406, 73(4), b = 2329, 2(4), c = 1712, 3(2) pm beschrieben werden. In der Kristallstruktur verlaufen in Richtung [100] Prismenstränge [NiBi1/1Bi6/3], wie sie aus der intermetallischen Verbindung Bi3Ni bekannt sind, jedoch sind diese in Bi7‐δNi2Br5 vollständig durch Br‐Ionen sowie Bromobismutat(III)‐Ionen von einander isoliert. Nichtstöchiometrie und strukturelle Modulation beruhen auf unterschiedlichen Kettenlängen und Orientierungen der aus trans‐kantenverknüpften [BiBr6]‐Oktaedern aufgebauten, oligomeren [BinBr4n + 2]‐Anionen (n = 3, 4, 5). Für den Kristalltyp I wurde aus der gemittelten Struktur ein Modell der Überstruktur abgeleitet und durch Rechnungen unter Einbindung der Satellitenreflexe erster und zweiter Ordnung in der Superraumgruppe Cm2m(α00)000 verifiziert. Aus Messungen der elektrischen Leitfähigkeit an Einkristallen und Bandstrukturberechnungen geht hervor, dass Bi7‐δNi2Br5 in Richtung [100] metallisch leitend ist, senkrecht dazu aber halbleitend. In schwachen Magnetfeldern zeigt Bi7‐δNi2Br5 einen schwachen, aber temperaturabhängigen Paramagnetismus und ordnet unterhalb 9 K antiferromagnetisch.
K3[Pt2(SO4)4H(HSO4)2]: A Platinum(III) Sulfate with [Pt2(SO4)4] Cores linked by [H(HSO4)2]‐ units
Authors: Pley Martin , Wickleder Mathias S. 
Published: February 2005

AbstractRed single crystals of K3[Pt2(SO4)4H(HSO4)2] (monoclinic, C2/c, Z = 4, a = 1809.4(2), b = 957.1(1), c = 1233.0(2) pm, β = 107.2(2)°) were obtained from the reaction of K2[Pt2(SO4)4(H2O)2] with conc. sulfuric acid at 400 °C in evacuated glass ampoules. In the crystal structure, [Pt2(SO4)4] cores are connected to infinite chains by [H(HSO4)2]‐ units, built by the linkage of two hydrogensulfate ions via a hydrogen atom. The sulfate groups within the [Pt2(SO4)4] core act as chelating ligands for the Pt2 dumbbell while the two hydrogensulfate groups are monodentate and occupy the terminal positions of the Pt26+ ions. Charge compensation is achieved by two crystallographically different K+ ions in eightfold coordination of oxygen atoms.
Synthese und Strukturen neuer oligomerer Zinkaminoalkoxid‐Komplexe
Authors: Hunger Jens , Blaurock Steffen , Sieler Joachim 
Published: February 2005

AbstractDurch Umsetzung von Diethylzink mit den Aminoalkoholen 3‐Dimethylaminopropanol und 2‐Diethylaminomethylphenol konnten die entsprechenden oligomeren Ethylzinkaminoalkoxide I und II dargestellt werden. Im Festkörper liegt I als Trimeres und II als Dimeres vor. Nach Reaktion von Zink(II)‐chlorid mit den Aminoalkoholen 2‐Dimethylaminoethanol und (R/S)‐1‐Dimethylaminoisopropanol konnten die tetrameren Chloro‐aminoalkoholato‐zink(II)‐Komplexe III und IV isoliert werden. Alle Verbindungen wurden durch Röntgenkristallstrukturanalyse und NMR‐Spektroskopie charakterisiert.
Chemischer Transport fester Lösungen. 15 [1]. Der Chemische Transport von Mischphasen in Systemen TiS2/TiSe2, TiS2/TaS2, TiSe2/TaSe2 und TaS2/TaSe2
Authors: Hotje U. , Wartchow R. , Binnewies M. 
Published: February 2005

AbstractRöntgenographische Untersuchungen haben gezeigt, dass in den Systemen TiS2/TiSe2, TaS2/TaSe2, TiS2/TaS2 und TiSe2/TaSe2 lückenlose Mischkristallreihen gebildet werden. Die Gitterkonstanten der Mischphasen folgen im Wesentlichen der Vegardschen Regel. Erfolgt die Substitution im Anionenteilgitter (TiS2/TiSe2, TaS2/TaSe2) sind die Gitterkostanten a der Mischphasen fast stets kleiner, c hingegen größer als nach der Vegardschen Regel zu erwarten.Mithilfe Chemischer Transportreaktionen (Transportmittel Iod, 1000 → 900 °C) können die genannten Mischphasen in einkristalliner Form erhalten werden. Für die Systeme TiS2/I2 und TiSe2/I2 wurden orientierende thermochemische Modellrechnungen durchgeführt. Titan(IV)‐iodid erweist sich danach als die transportwirksame Gasphasenspezies. Der Transport verläuft in allen vier Systemen annähernd kongruent.
Darstellung von Co2‐xZnxMo3O8‐Einkristallen mit definierter Zusammensetzung durch Chemischen Transport
Authors: Steiner Udo , Reichelt Werner , Daminova Sofia , Langer Enrico 
Published: February 2005

AbstractPhasenreine Pulverproben der Mischkristallphasen Co2‐xZnxMo3O8 wurden durch Festkörperreaktion in evakuierten Quarzglasampullen bei 1273 K dargestellt. Die Gitterkonstanten der Mischkristalle wurde an Röntgenpulverdiffraktometerdaten mit der Rietveld‐Methode verfeinert. Eine geringe, aber signifikante Änderung der Gitterparameter in Abhängigkeit vom Zinkgehalt beweist das Vorliegen einer lückenlosen Mischkristallreihe Co2‐xZnxMo3O8. Einkristalle von Co2‐xZnxMo3O8 wurden durch Chemischen Transport im Temperaturgefälle 1273 K nach 1173 K mit den Transportmitteln NH4Cl oder NH4Br dargestellt, wobei ein Ausgangsmaterial mit geringem Sauerstoffüberschuss entsprechend der formalen Zusammensetzung „Co2‐xZnxMo3O8.1”︁ eingesetzt wurde. Das Co/Zn‐Verhältnis der abgeschiedenen Kristalle wurde mittels Röntgenspektroskopie (EDX) bestimmt.
The Real Structure of YbSi1.4 ‐ Commensurately and Incommensurately Modulated Silicon Substructures
Authors: Kubata Christof , Krumeich Frank , Wörle Michael , Nesper Reinhard 
Published: February 2005

AbstractA systematic thermochemical investigation of the binary system Yb/Si revealed the phase YbSi1.4 in pure form that is accessible by reacting the elements at 890 °C in sealed niobium ampoules. According to XRD investigations, the basic structure of YbSi1.4 is orthorhombic (space group: Cmcm; a = 4.159(1), b = 23.510(5), c = 3.775(1) Å). The structure contains blocks with three sheets of trigonal Yb6 prisms that are connected to each other by face‐sharing. Two of these prism sheets are fully occupied by Si whereas the middle one is occupied by ∼ 80 % only, as obtained from the electron density distribution by XRD. Transmission electron microscopy (TEM) investigations show the presence of two distinct ordering variants: YbSi1.4‐I has a unit cell with doubled volume (space group of the structural model: Imm2; aI = 4.16, bI = 7.56, cI = 23.51Å). In the structural model derived from HRTEM images, Si fills 3/4 of the partly occupied Yb6 prisms in a regular way. YbSi1.4‐II exhibits an incommensurate modulation that can be described in the 3 + 1 dimensional superspace group Cmcm(10γ) (No. 63.3). The evaluation of HRTEM images of YbSi1.4‐II revealed parallel domains with the structure of YbSi1.4‐I, with the modulation due to a shift of the domains with respect to each other.
Utility of Simple Rate Equations for Solid State Reactions
Authors: Maier Joachim 
Published: February 2005

AbstractBy considering a variety of examples with differing complexity and different deviations from equilibrium, the usefulness of simple chemical kinetics for describing solid state reactions is highlighted. In all cases point defects (or atomic constituents of higher dimensional defects) enter the kinetic equations. The formulation of the partial processes in terms of chemical kinetics is naturally beneficial for interfacial reactions far from equilibrium but also pure transport processes can be advantageously described by a kinetic ansatz. In view of existing or induced inhomogeneities, the formulation of the rate equations has to be strictly local.
Stabilization of Highest‐Oxidation States of Transition Metals and the Induced Electronic Phenomena in Oxidic Perovskite Structures
Authors: Demazeau Gérard 
Published: February 2005

AbstractIn oxides the stabilization of the highest oxidation states n+ of transition metals leads to the stabilization of strong covalent Mn+‐O bonds. Such very covalent bonds can induce electronic phenomena as spin transitions through the increase of the local crystal‐field energy (Dq) or in the specific case of an anisotropic eg1 electronic configuration some strong interactions with the perovskite structure (3D character, structural distortion…︁) can lead to a insulator→metal transition or a disproportionation phenomenon. [2Mn+⇔(M(n—ϵ)+)+(M(n+ϵ)+)] In order to illustrate such a topic, three unusual oxidation states have been selected: Co3+(d6), Fe4+(d4) and Ni3+(d7) in perovskite‐type structures.
The Threading of [(CuCN)2(μ‐4, 4′‐bpy)] Sheets by CuCN Chains
Authors: Hibble Simon J. , Chippindale Ann M. 
Published: February 2005

AbstractYellow (CuCN)2[(CuCN)2(μ‐4, 4′‐bpy)], formed in the hydrothermal reaction of CuCN with 4, 4′‐bipyridine at 453 K, contains two types of infinite CuCN chains. One set of CuCN chains is linked by 4, 4′‐bpy ligands to form almost flat sheets of composition [(CuCN)2(μ‐4, 4′‐bpy)]. Holes in these sheets are aligned to allow pairs of approximately linear, infinite ‐(CuCN)‐ chains to thread through them. The closest interatomic approach between copper atoms in the threading chains and host sheets (∼2.74Å) does not appear to represent a significant covalent bond as it leads to only a small distortion of the ‐(CuCN)‐ chains from linearity. The relationship of this material to the previously determined structures of the host [(CuCN)2(μ‐4, 4′‐bpy)] sheets and (CuCN)3[(CuCN)2(μ‐4, 4′‐bpy)]2, in which these sheets are threaded by single ‐(CuCN)‐ chains, is discussed.
Mischkristallbildung im System Cu3Mo2O9/Zn3Mo2O9
Authors: Reichelt Werner , Steiner Udo , Söhnel Tilo , Oeckler Oliver , Duppel Viola , Kienle Lorenz 
Published: February 2005

AbstractIm System Cu3Mo2O9/Zn3Mo2O9 existieren zwei Mischkristallreihen: Cu3(1‐x)Zn3xMo2O9 mit x = 0 bis x = 0.8 und x = 0.88 bis x = 1. Einkristalle von Cu3(1‐x)Zn3xMo2O9 (x = 0 bis x = 0.8) mit definierter Zusammensetzung wurden mittels Chemischen Transports mit dem Transportmittel Cl2 im Temperaturgefälle 973K→873K dargestellt. Die Mischkristalle wurden mittels Röntgenbeugung an polykristallinem Pulver und an Einkristallen sowie HRTEM charakterisiert.
Synthesis and Characterization of the Tetraphosphonic Acid Ester (Et2O3PCH2)4C6H2 and the Open‐Framework Cadmium Tetraphosphonate, Cd2[(HO3PCH2)4C6H2]
Authors: Stock Norbert , Guillou Nathalie , Senker Jürgen , Férey Gérard , Bein Thomas 
Published: February 2005

AbstractFollowing the strategy of using polyfunctional phosphonic acids for the synthesis of open‐framework metal phosphonates, the ethyl ester of a tetraphosphonic acid, i. e. (Et2O3PCH2)4C6H2 (1) was synthesized and used in the hydrothermal synthesis of the new cadmium tetraphosphonate, Cd2[(HO3PCH2)4C6H2] (2). The structure of 1 was solved from single crystal data (1: triclinic, P1¯, a = 12.3846(2), b = 12.6166(3), c = 12.9915(3) Å, α = 86.380(1), β = 63.372(1), γ = 89.589(1)°, V = 1810.51(7) Å3, Z = 2, R1 = 0.077, wR2 = 0.177). The in situ hydrolysis of the ethyl ester and the reaction with the Cd2+ ions leads to the well‐crystallized microcrystalline product 2. Its structure was solved and refined using X‐ray powder diffraction data (2: triclinic, P1¯, with a = 11.0435(5), b = 7.5809(3), c = 5.4250(2) Å, α = 98.354(2), β = 101.951(2), γ = 95.885(3)°, V = 435.48(9) Å3, Z = 1, Rwp = 0.096, Rp = 0.072, RB = 0.081, RF = 0.069). Whereas the structure of 1 is a molecular structure, the structure of Cd2[(HO3PCH2)4C6H2] (2) is built up from edge sharing CdO6 octahedra forming dimeric [Cd2O10] polyhedra. In the second coordination sphere of each of the CdII ions six HO3PCH2R units are observed. The [Cd2O10] polyhedra are connected to six other [Cd2O10] polyhedra by ten hydrogenphosphonic acid units. Thus inorganic sheets are formed that are connected to a three‐dimensional framework with small channels, through the phenyl rings. Thermogravimetric as well as IR‐, 113Cd‐MAS‐NMR and 31P‐MAS‐NMR data are also presented.
[C3H7N(C2H4)3NC3H7]2 ∞1[Sn4I12] ‐ Ein Iodostannat aus verknüpftenSnI5‐Pyramiden
Authors: Lode Christine , Krautscheid Harald , Müller Ulrich 
Published: February 2005

AbstractBei der Reaktion von SnI2 mit [C3H7N(C2H4)3NC3H7](PF6)2 in DMF entsteht das Iodostannat [C3H7N(C2H4)3NC3H7]2[Sn4I12] (1), das eine neuartige Anionenstruktur aufweist. Gemeinsame Iodoliganden verknüpfen SnI3‐‐Einheiten zu polymeren Strängen von eckenverknüpften SnI5‐Pyramiden. Nach der Röntgenstrukturanalyse kristallisiert 1 in der Raumgruppe Pna21 mit a = 3948, 6(4), b = 916, 7(1), c = 2914, 3(3) pm und acht Formeleinheiten pro Elementarzelle. Die Kristallstruktur weist eine ausgeprägte Pseudosymmetrie auf, indem die Symmetrie der Raumgruppe Pnmn mit halbiertem Gitterparameter a näherungsweise erfüllt ist. Da Pnmn eine Obergruppe von Pna21 ist, könnte es bei höherer Temperatur eine Phasenumwandlung zweiter Ordnung geben. In der vermuteten Hochtemperaturform in der Raumgruppe Pnmn müßten die C‐Atome mit halbbesetzten Atomlagen fehlgeordnet sein.
DFT‐Investigations of Pentatomic Cobalt Selenide Clusters [(CpRCo)3(μ3‐Se)2]q (CpR = Cp, Cp*; q = 2+, 1+, 0, 1‐)
Authors: Dehnen Stefanie 
Published: February 2005

AbstractDensity functional theoretical (DFT) investigations were performed to get insight in the terminal ligands' influence on the structures of pentatomic, Cp or Cp* coated cobalt selenide clusters [(CpRCo)3(μ3‐Se)2]q (CpR = Cp, Cp*; q = 2+, 1+, 0, 1‐, referring to 48, 49, 50, 51 valence electrons; Cp* = pentamethyl‐Cp; Cp = cyclopentadienyl). The calculations reveal that for clusters with 48, 49, or 51 valence electrons, only structures with a trigonal bipyramidal Co3Se2 core (closo) represent local minima on the energy hyperface; in contrast, the 50 electron clusters can be calculated in two isomeric minimum structures each, one according to a distorted trigonal bipyramid (closo), and one with a square pyramidal core (nido). The 50 electron closo structure ‐ which disagrees with Wade‐Mingos rules ‐ was shown to be energetically preferred compared to the nido‐type Co3Se2 cage as soon as bulky ligands such as Cp* enforce a distinct enlargement of interatomic distances within the cluster core. This may explain the experimentally observed “anti‐Wade‐Mingos” structures of respective compounds like [(Cp*Co)3(μ3‐Se)2] (1).
‘Never perfectly printed’: the Authorized Version of the Bible
Authors: NORTON DAVID 
Published: February 2005

The text is the editor's introduction to The New Cambridge Paragraph Bible to be published in 2004.THOUGH it is the most important book in the religious life and the culture of the English-speaking world, the King James Bible or Authorised Version of 1611 has never been perfectly printed. This is not to say either that it is badly printed or that absolute perfection can be achieved, but that the text and its presentation can be improved. First, what we now read as the King James Bible contains numerous deliberate and some accidental changes to the text, and these can be revised to make it more faithful to the King James translators' own decisions as to how it should read. Second, the presentation of the text – spelling, punctuation and formatting – interferes with the clarity with which it speaks to the minds and souls of present-day readers. Unnecessary background noise gets in the way. To use another image, there is dust and dirt on the old master, the paint is darkened and cracked: we can still see that the picture is a great one, but not how great it is. This article continues to explore the criteria used behind the publication of this new work.
Differential Display in Rat Livers Treated for 13 Weeks with Phenobarbital Implicates a Role for Metabolic and Oxidative Stress in Nongenotoxic Carcinogenicity
Authors: Elrick Mollisa M. , Kramer Jeffrey A. , Alden Carl L. , Blomme Eric A. G. , Bunch Roderick T. , Cabonce Marc A. , Curtiss Sandra W. , Kier Larry D. , Kolaja Kyle L. , Rodi Charles P. , Morris Dale L. 
Published: February 2005

Hepatic enzyme inducers such as phenobarbital are often nongenotoxic rodent hepatocarcinogens. Currently, nongenotoxic hepatocarcinogens can only be definitively identified through costly and extensive long-term, repeat-dose studies (e.g., 2-year rodent carcinogenicity assays). Although liver tumors caused by these compounds are often not found to be relevant to human health, the mechanism(s) by which they cause carcinogenesis are not well understood. Toxicogenomic technologies represent a new approach to understanding the molecular bases of toxicological liabilities such as nongenotoxic carcinogenicity early in the drug discovery/development process. Microarrays have been used to identify mechanistic molecular markers of nongenotoxic rodent hepatocarcinogenesis in short-term, repeat-dose preclinical safety studies. However, the initial “noise” of early adaptive changes may confound mechanistic interpretation of transcription profiling data from short-term studies, and the molecular processes triggered by treatment with a xenobiotic agent are likely to change over the course of long-term treatment. Here, we describe the use of a differential display technology to understand the molecular mechanisms related to 13 weeks of dosing with the prototype rodent nongenotoxic hepatocarcinogen, phenobarbital. These findings implicate a continuing role for oxidative stress in nongenotoxic carcinogenicity. An Excel data file containing raw data is available in full at http://taylorandfrancis.metapress.com/openurl.asp?genre=journal&issn=0192-6233 . Click on the issue link for 33(1), then select this article. A download option appears at the bottom of this abstract. The file contains raw data for all gene changes detected by AFLP, including novel genes and genes of unknown function; sequences of detected genes; and animal body and liver weight ratios. In order to access the full article online, you must either have an individual subscription or a member subscription accessed through www.toxpath.org .
Organisations, transformability and the dynamics of strategy
Authors: Chaharbaghi Kazem , Adcroft Andy , Willis Robert 
Published: February 2005

PurposeThe purpose of this paper is to demonstrate the relationship between three concepts: organisations, transformability and the dynamics of strategy. These three concepts together with their interrelationships are central in explaining the life cycle of organisations, their survival and renewal.Design/methodology/approachThe development of this explanation has been based on bringing together a diversity of perspectives. Each perspective provides a horizon of understanding by directing attention in a particular way. The benefits of this approach are that it avoids the pitfalls of one‐dimensionalism. This approach more accurately reflects the multi‐faceted reality within which organisations operate.FindingsDiscusses, compares and contextualises the findings and approaches of the papers in this special issue.Originality/valueThe perspectives considered represent a small sample of the diversity that exists. However, this sample as serves a starting‐point in developing a wider, more holistic debate that aims to bring theory and practice together.
Design and prototyping of an active hand prosthetic device
Authors: Yang Jingzhou , Abdel‐Malek Karim , Potratz Jason 
Published: February 2005

PurposeThis paper presents the design and prototyping of the Inherently cOmpliant light Weight Active (IOWA) hand, an active hand prosthetic device.Design/methodology/approachThis hand prosthetic device has five actuated fingers, each with three joints. Each joint is designed using a novel, flexible mechanism based on the loading of a compression spring in both transverse and axial directions, and using cable‐conduit systems. Rotational motion is transformed into tendon‐like behavior, which enables the location of the actuators far from the arm (e.g. on a belt around the waist).FindingsIt was shown that several numerical approaches for the study of a mechanical spring undergoing loading conditions in tension, bending moment, and shear can be obtained towards analysis of motion for control of each finder segment. It was also shown that these numerical models are accurate in comparison with experimental results.Originality/valueWhile the mechanical design of the hand and associated kinematics were presented, we draw an early conclusion (without actual clinical testing) that this type of low‐cost inherently compliant hand may have a significant impact for providing added capabilities to a disabled person. It was also shown from the prototype that adequate control over the mechanical linkages leading to each segment of each digit is possible.
Development and validation of critical factors of environmental management
Authors: Soo Wee Yeo , Quazi Hesan A. 
Published: February 2005

PurposeThe literature reveals that various authors have indicated various sets of requirements for corporate environmental management but no study has yet identified and statistically established the reliability and validity of a set of critical factors. It aims to develop and validate a set of critical factors of environmental management that could be used by the managers in assessing and improving their own environmental management practices.Design/methodology/approachUsing a thorough synthesis of the environmental management literature the authors identified a number of critical factors. Performance measures for each of these factors were developed through literature review and interviews with environmental managers. A survey methodology was used. A pre‐tested questionnaire was mailed to the managing directors or the chief executive officers of 848 electronic and chemical manufacturing companies in Singapore and 186 completed responses were received. Using the data collected, the identified critical factors were subjected to appropriate statistical tests to establish reliability and validity.FindingsThrough reliability and validity analyses seven critical factors – top management commitment to environmental management, total involvement of employees, training, green product/process design, supplier management, measurement, and information management – were established.Research limitations/implicationsThe study covered only two industries in Singapore but for the purpose of wider generalisability similar studies need to be conducted in other industries and in other parts of the world.Practical implicationsThe validated instrument reported here could be used by managers to audit their environmental management practices. Such an audit may help management to prioritise its environmental management efforts. This instrument could also be used by the organizations to assess the level of environmental management practices of their respective suppliers.Originality/valueThis paper fills the gap in the literature on identification, establishment and validation of critical factors of environmental management.