bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure of Mn-Si-Melts by Means of X-Ray Diffraction
Authors: Nassif E. , Lamparter P. , Sedelmeyer B. , Steeb S. 
Published: February 2015

Abstract
The binary molten alloys Mn74Si26 and Mn33.5Si66.5 have been investigated by means of X-ray diffraction. The total structure factors as well as the total pair correlation functions were evaluated. The interatomic distances and total coordination numbers are given. The structural results for Mn74Si26 were compared to those for amorphous Mn74Si23P3 and for a tetrahedral packing model. A pronounced shoulder on the second maximum of the structure factor, which normally is characteristic for the curves obtained with amorphous substances was observed for the Mn74Si26 melt. With the Mn33.5Si66.5 melt, however, this feature cold not be observed. Since with this concentration no glass forming by melt spinning is possible, a correlation between the shape of the second maximum of a total structure factor and the glass forming ability of the corresponding melt is suggested.
Fluorescence Anisotropy and Decay Times of Pyrene and Pyrene Excimer in Cellulose Acetate Films at Various Temperatures
Authors: Kawski A. , Weyna I. , Kojro Z. , Kubicki A. 
Published: February 2015

Abstract
Investigations of fluorescence anisotropy and mean lifetime of pyrene and pyrene excimer in cellulose acetate films have shown that this environment can not be considered as a strictly rigid solution, being rather a medium consisting of empty spaces where small pyrene molecules have considerable freedom. It has been concluded that the mechanism of the excimer formation is the same as that in liquid solvents.
Microscopic Observation of Paramorphic Quadratic Cholesteric Textures Grown from Supercooled Blue Phases
Authors: Onusseit H. , Stegemeyer H. 
Published: February 2015

Abstract
From supercooled quadratic liquid single crystals of the Blue Phases (BP) of cholesteryl myristate quadratic cholesteric textures grow with the boundaries of the BP single crystals being preserved by paramorphosis. A perpendicular helix orientation in the quadratic cholesteric structure has been derived from polarising microscopic investigations, which is also expected within the cubic BP single crystals.
Schwingungseigenschaften einiger Transplutonium-Orthophosphate / Vibrational Properties of Some Transplutonium Orthophospliates
Authors: Baran Enrique J. 
Published: February 2015

Abstract
The force constants and mean amplitudes of vibration for the PO4
3- ions present in the AnPO4 lattices (An = Am, Cm. Bk, Cf, Es) have been calculated from recently reported Raman data. Some comparisons made with the structurally related lanthanide orthophosphates show an analogous vibrational behaviour for both series of compounds.
A Contribution to the Analysis of the Rotational Spectra of Dimethyl Selenide in Torsional Excited States
Authors: Lalowski W. , Dreizler H. 
Published: February 2015

Abstract
Rotational spectra of dimethyl selenide in torsional and vibrational excited states were measured by Stark-and MWMW double resonance spectroscopy. The spectra could be assigned partially and evaluated for internal rotation parameters. The limitation of the rigid top-rigid frame Hamiltonian became obvious.
The Influence of a Static Magnetic Field on the Optical Properties of Chiral Molecules
Authors: Wagnière G. 
Published: February 2015

Abstract
A static magnetic field parallel to the direction of propagation of an incident light beam causes a small shift in the value of the refractive index and, correspondingly, of the absorption coefficient of a chiral molecule. This shift is opposite for enantiomers. However, it occurs for arbitrarily polarized light and is therefore not a circular differential effect.
Effect of Solventsand Temperature on O—H stretching Band of Methanol: Measure of van der Waals Interactions
Authors: Luck W. A. P. , Zheng H. Y. 
Published: February 2015

The frequency shift of methanolic OH stretching bands by different nonpolar solvents at different temperatures can be described quantitatively by an equation proposed recently relating it to the temperature dependence of van der Waals interactions. The method shows that methanolic OH groups are surrounded by about 40% more solvent molecules than t-butanol OH groups.
Frequency shifts of CH3OH by binary solvent mixtures demonstrate an averaged potential with small preference of the solvent with higher interaction.
Yang-Mills Dynamics as Effective Nonlinear Field Theory of Composite Vector Bosons in Unified Spinorfield Models
Authors: Stumpf H. 
Published: February 2015

Unified nonlinear spinorfield models are self-regularizing quantum field theories in which all observable (elementary and non-elementary) particles are assumed to be bound states of fermionic preon fields. Due to their large masses the preons themselves are confined and below the threshold of preon production the effective dynamics of the model is only concerned with bound state reactions. In preceding papers a functional energy representation, the statistical interpretation and the dynamical equations were derived and the effective dynamics for preonantipreon scalar boson states and three-preon fermion (and anti-fermion) states was studied in the low energy as well as in the high energy limit, leading to a functional energy representation of an effective Yukawa theory (with high energy form-factors). In this paper the effective dynamics of two-preon composite vector bosons is studied. The weak mapping of the functional energy representation of the spinorfield on to the functional energy representation for the effective vector boson dynamics (with interactions) produces a non-abelian SU (2) local gauge theory (Yang-Mills theory) for a triplet of mass-zero vector bosons in the temporal and Coulomb gauge. This special gauge is enforced by the use of the energy representation and is compatible with the nonlinear Yang-Mills dynamics (and quantization). Apart from the non-abelian Gauss-law all other field laws and constraints directly follow from the mapping procedure. The non-abelian Gauss-law is a consequence of the relativistic invariance of the effective dynamics.
PACS 11.10 Field theory
PACS 12.10 Unified field theories and models
PACS 12.35 Composite models of particles
Fluoreszenzspektrometrische Untersuchungen an wäßrigen Terbium(III)-Lösungen bei 50 MPa und Temperaturen bis 200 °C
Authors: Baumann M. , Bilal B. A. 
Published: February 2015

Fluorescence spectroscopic investigations o f aqueous terbium(III) solutions at 50 MPa and temperatures up to 200 ° C
The fluorescence emission o f Tb3+ in aqueous solution at temperatures up to 200 °C and pressures up to 50 MPa is measured and discussed. The com position o f the solutions was: Tb3+ 0.01 molar, NaCl 1 molar. H2SO4 0.05 and 0.5 molar. It is found, that a pressure o f 50 MPa is without influence on the emission. The augm entation o f the temperature to 200 °C leads to an increase of radiationless desactivation for the fluorescence transitions 5D4- 7F4 (583 ± 1 nm) and 5D 4- 7F3 (618 ± 1 nm). The emission by the transition 5D4-7F5 (544.5 ± 1 nm) remained nearly unchanged in intensity and lifetim e also at higher temperature.
14N Quadrupole Cross-Relaxation Spectroscopy of a Compound of Pharmacological Interest
Authors: Bavin P. M. G. , Stephenson D. , Smith J. A. S. 
Published: February 2015

Cross-relaxation spectroscopy has been used to record the 14N quadrupole resonance spectrum of two of the polymorphic forms of the pharmacologically-important compound: 2-4-(5-Bromo- 3-methylpyrid-2-yl)butylammo-5-(6-methylpyrid-3-yl)methyl-pyrimidin-4-one.
Three 14N frequencies for four of the non-equivalent nitrogen sites within the molecule have been identified by combined irradiation and cross-relaxation techniques and quadrupole coupling constants and asymmetry parameters deduced therefrom; the absence of 14N (and 79Br) signals from the bromine-substituted pyridine ring suggests that this part of the molecule is disordered in the crystal. The spectral intensities have been used to derive approximate values for the 14N and 1H relaxation times, which show clear differences between the two polymorphs.
Thermodynamische Interpretation der Schmelzdiagramme binärer Systeme aus Methylchlorsilanen und Pyridazin bzw. Pyrazin
Authors: Hensen Karl , Gaede Jens 
Published: February 2015

By analyzing the cooling curves and the resulting melting point diagrams of the chloromethylsilane- pyridazine and pyrazine systems the existence of the incongruently melting addition compounds CH3SiCl3 • Pyridazine, (CH3)2SiCl2 • (Pyridazine)2, (CH3)3SiCl • (Pyridazine)2, CH3SiCl3 • (Pyrazine)2, (CH3)2SiCl2 • (Pyrazine)2 , (CH3)3SiCl • (Pyrazine)2 was proved. By electro-optical measurements of the turbidity point it was proved that the system (CH3)3SiCl- Pyridazine exhibits a miscibility gap which intersects the liquidus curve of the amine. Based on certain approximations it was possible to fit thermodynamic functions to the experimental results to obtain the excess data of mixing of the corresponding systems. These data allow for a more profound understanding of the Lewis-acid base behaviour of the silanes and amines.
Chloromethylsilanes, Pyridazine, Pyrazine, Phase Diagrams, Addition Compounds, Thermodynamic Excess Functions
Eu2P2S6: Das erste Seltenerd- Thiohypodiphosphat
Authors: Broekner Wolfgang , Becker Robert 
Published: February 2015

Europium Hexathiohypodiphosphate Eu2P2S6 with Eu in the oxidation state 2 has been prepared by direct elemental synthesis at high temperatures. Its vibrational spectrum has been recorded. The observed frequencies are assigned on the basis of P2S6
4- units with C2h symmetry in the crystal in analogy to Sn2P2S6 (monoclinic modification II).
DTA-data have been determined and interpreted.
Ab initio and Semiempirical Studies on H3C-B=O and H-B=O. Their Structure and Vibrational Spectra
Authors: Raabe Gerhard , Schleker Wolfgang , Straßburger Wolfgang , Heyne Eberhard , Fleischhauer Jörg , Bachler Vinzenz 
Published: February 2015

The electronic structure of H3C -BO and H - BO is elucidated employing one determinant ab initio calculations with STO-3G and 4-31G basis sets and the semiempirical MNDO theory. The vibrational spectra of both molecules including various isotopic shifts have been calculated at the 4-31G level. The influence of methyl substitution on the vibrational frequencies, BO stretching force constant, Mulliken charges, and vertical ionization potential is examined and compared with that in the pairs H-CN/H3C-CN and H-NC/H3C-NC , isoelectronic with H-BO/H3C-BO.
As judged from a comparison of the force constants for stretching the XY bonds in the H3C -XY and H-XY molecules, the XY bond is “softened” upon methyl substitution. This effect is found to decrease in the order H3C-BO>H3C-CN>H3C-NC.
For XY=BO the difference between the first ionization potentials of H-XY and H3C-XY is found to be somewhat smaller than for XY = CN but slightly higher than for the isonitril compounds (XY = NC).
Magnetic Surfaces and Localized Perturbations in the Wendelstein VII-A Stellarator
Authors: Wobig H. 
Published: February 2015

The critical dependence of plasm a confinement in low-shear stellarators, such as Wendelstein VII-A, on the external rotational transform can be explained on the basis of magnetic surface destruction. External symmetry-breaking perturbations generate islands on the low order rational magnetic surfaces. The islands are largest at t = 1/2 and t = 1/3. Confinement is optimum in close proximity to these values. In o rd er to study the structure of surfaces under the influence of perturbations, a mapping procedure is used instead of field line integration. It is found that the neighbourhood of low-order rational surfaces is particularly robust against surface destruction. The reason is that in this vicinity only rational surfaces with large m and n exist (t = m/n). On these surfaces the external perturbation only generates small islands.
In W VII-A the current leads to the helical windings are one symmetry-breaking perturbation , and there might also be others. It is possible to avoid field errors of this kind in future stellarators.
An ESR Investigation of Synthetic Pyrite Crystals
Authors: Siebert D. , Dahlem J. , Fiechter S. , Hartmann A. 
Published: February 2015

Abstract
Synthetic pyrite crystals doped with halogen (CI, Br) or manganese (Mn) were investigated by ESR at 78 K with an X-band spectrometer and a TE102 cavity with 100 kc field modulation. The crystals were preferably measured with the directions 〈100〉, 〈110〉, and 〈111〉 parallel to the static magnetic field HO. The ESR spectrum of Mn-doped crystals showed a sextet which can be explained by a spin-Hamiltonian for an electron spin S = 1/2 in interaction with the nuclear spin I = 5/2 of the Mn nucleus for axial symmetry. Due to the observed spin and due to the orientation of the paramagnetic centers the spectra were assigned to Mn2+ in the low spin state which resides on cation site in the FeS2, lattice. In halogen-doped crystals four pairs of lines can be interpreted by the interaction of the two isotopes of I = 3/2, 79Br, 81Br and 35Cl, 37Cl, respectively, with an electron spin S = 1/2. According to the observed symmetry of the ESR signals the paramagnetic centers can be explained as (S-X)2- radicals (X = CI, Br) which substitute for the (S2)2- dumb-bells of pyrite. All crystals evoked extremely narrow ESR lines, especially the halogen-doped crystals with linewidths down to 0.03 mT. Excellent agreement between measured and calculated spectra up to the finest details has been obtained.
1H NMR and Thermal Studies of CH3NH3Br in a Metastable Solid Phase Newly Found above 483 K
Authors: Tansho Masataka , Nakamura Daiyu , Ikeda Ryuichi 
Published: February 2015

Abstract
By differential thermal analysis a new high-temperature solid phase of methylammonium bromide was found between 483 K and its “melting point” (510 K). 1H NMR absorption measurements revealed the presence of rapid 3D translational self-diffusion and overall rotation of methylammonium cations in this phase. These cationic motions are quite analogous to those of methylammonium iodide in its ionic plastic phase. Surprisingly, this plastic-like phase is metastable, the stable phase in the same temperature range being liquid.
CdSe Photoanodes for Electrochemical Photovoltaic Conversion
Authors: Kochev K. , Popkirov G. , Ivanova K. , Quint R. , Getoff N. 
Published: February 2015

Abstract
The paper presents experimental results obtained with a polycrystalline n-CdSe photoanode produced as recently described. The photoelectrochemical studies (I-V and C-V measurements), using a polysulfide electrolyte, indicate a relatively high efficiency of 6.8%.
YBa2Cu3O7–x:Transport Properties and Defects at High Temperature
Authors: Chiodelli G. , Campari-Viganò G. , Flor G. 
Published: February 2015

Abstract
Electrical resistivity measurements were carried out on polycrystalline YBa2Cu3O7-x at temperatures 300 < T < 1023 K and oxygen partial pressures 5 ·10-7 ≤ po2 ≤ 1 atm. The samples, equilibrated in the range from 5 ·10-4 to 1 atm, show metallic behaviour, the one equilibrated at po2 = 2 ·10-5 shows a transition between metallic and semiconducting behaviour at 920 K, and that equilibrated at po2 = 5 ·10-7 shows semiconducting behaviour: for the latter the relevant resistivity is due to the oxygen-ion migration. The isotherms log σ vs. log po2 (in the temperature range from 723 to 1023 K) show slopes of about 1/6 at 723 K (orthorhombic phase) and about 1/2 at 1023 K (tetragonal phase). These results are discussed in terms of appropriate defect models.
Laser Tandem Mass Spectrometry in a Time of Flight Instrument
Authors: Weinkauf R. , Walter K. , Weickhardt C. , Boesl U. , Schlag E. W. 
Published: February 2015

Abstract
We present a new laser tandem mass spectrometry technique in a reflectron time of flight (TOF) instrument. A first pulsed laser performs the multiphoton ionization and the primary photodissociation. A newly designed ion source permits a high mass resolution in the space focus of the 12 cm long first linear TOF, where then the secondary excitation can take place. For high resolution applications the pure secondary or pure metastable mass spectrum of a preselected precursor ion can be recorded using a new reflectron scanning technique. It is also possible to obtain the whole secondary mass spectrum with one cycle using a new postacceleration method. Several techniques for ejection of interfering ions are shown. The features of our techniques are demonstrated at various primary fragments of benzene.
Neue Cyclophosphazene mit Metallen der III. Hauptgruppe als Ringbausteine / New Cyclophosphazenes with Metals of Main Group III as Building Blocks
Authors: Hasselbring Reinhard , Roesky Herbert W. , Heine Andreas , Stalke Dietmar , Sheldrick George M. 
Published: February 2015

Abstract
Acylic silylated phosphazenes of the type HN(PR2NSiMe3)2 (1) react quantitatively with molecules MMe3 (M = Al, Ga, In) under ring formation and CH4 evolution. The ring compounds N(PPh2NSiMe3)2AlMe2 (2 a) and N(PPh2NSiMe3)2InMe2 (4 a) have been investiga­ ted by X-ray structure determination. 2a and 4a crystallize in the space groups P 1̄ and P 31, respectively; they show different conformations regarding the cyclohexane framework. NMR spectroscopy of the nuclei in the chelating phosphazene ligand indicates decreasing Lewis acidity of the metal containing fragments in the series AlMe2 ≥ GaMe2 > InMe2.
Kristallstruktur zweier Zinkthiocyanat-Hexamethylentetramin-Addukte, Zn(SCN)2 · (C6H12N4)2 und {Zn(SCN)2 · C6H12N4 · 2H2O}n, mit unterschiedlich koordinierten Zinkionen / Crystal Structure of Two Zinc Thiocyanate Hexamethylenetetramine Adducts, Zn(SCN)2 · (C6H12N4)2 and {Zn(SCN)2 · C6H12N4 · 2H2O}n with Differently Coordinated Zinc Ions
Authors: Pickardt Joachim , Gong Gill-Taik , Wischnack Sabine , Steinkopff Christina 
Published: February 2015

Abstract
Crystals of the adducts Zn(SCN)2 · (C6H12N4)2 (1), and {Zn(SCN)2 · C6H12N4 · 2H2O}n (2) were obtained by crystallization from aqueous solutions containing hexamethylenetetrami­ne, potassium thiocyanate and zinc nitrate or zinc sulfate, resp., under identical conditions, as two totally different products. 1 crystallizes orthorhombically, space group P nmm, Z = 2, a = 622.4(5), b = 1152.3(7), c = 1394.0(9) pm; 2 is monoclinic, space group C2/c, a = 984.4(3), b = 1217.0(5), c = 1257.4(6) pm, and β = 111.69(5)°. The crystal structure of 1 contains discrete molecules of the complex, in which the zinc ion is tetrahedrally coordinated by two NCS ligands, and two hexamethylenetetramine molecules, which act as monodentate ligands. In 2 however, the zinc ions are octahedrally coordinated. A “supramolecular” structure is form­ed: The hexamethylenetetramine molecules act as bridging bidentate ligands and connect [Zn(H2O)2(NCS)2] units forming zig-zag chains. Adjacent chains are interconnected via hydrogen bonds. The formation of the two compounds with different coordination may be due to the fact, that the educts Zn(NO3)2 · 4H2O and ZnSO4 · 7H2O contain Zn(H2O)4 and Zn(H2O)6 moieties, resp., and that these species are retained in solution.
Einkernige Ruthenium(III)-Komplexe des Typs LRuX3 (X = Cl-, NCO-, NCS-, N-
3; L = 1,4,7-Trimethyl-1,4,7-triazacyclononan) / Mononuclear Ruthenium (III) Complexes of the Type LRuX3 (X = Cl-, NCO-, NCS-, N-
3; L = 1,4,7-Trimethyl-1,4,7-triazacyclononane)
Authors: Schneider Ralf , Jüstel Thomas , Wieghardt Karl , Nuber Bernhard 
Published: February 2015

Abstract
The chloro ligands in [LRuCl3] (1), the crystal structure of which has been determined, are readily substituted in aqueous solution by NCO-, NCS-, and N-
3 with formation of LRuIIIX3 complexes. [LRu(N3)3] is very thermolabile and light sensitive and forms diamagnetic [LRuII(N3)2(N2)]. The thiocyanate species probably contains N- and S-coordinated NCS-ligands: [LRu(N̲CS)2(S̲CN)]. The electrochemistry of the new complexes is reported.
Synthese, IR-Spektrum und Kristallstruktur von 1.3.5-Trichlortriazinium-hexachloroantimonat, [HC3N3Cl3]SbCl6 / Synthesis, IR Spectrum and Crystal Structure of 1.3.5-Trichlortriazinium Hexachloroantimonate, [HC3N3Cl3]SbCl6
Authors: Weller Frank , Schmock Fritjof , Dehnicke Kurt , Findeisen Kurt 
Published: February 2015

Abstract
1,3,5-Trichlortriazinium hexachloroantimonate has been prepared by the reaction of CCl2 = N-COCl with antimony pentachloride in boiling dichloromethane. The compound was characterized by IR spectroscopy and by a crystal structure determination. [HC3N3Cl3]SbCl6 crystallizes in the monoclinic space group P21/n with four formula units per unit cell. 2503 observed unique reflections, R = 0.029. Lattice dimensions at 19 °C: a = 1314.1(1), b = 958.2(1), c = 1329.1(1) pm, β = 117.113(5)°). The compound forms ion pairs via a linear N-H ··· Cl bridge, thus distorting the SbCl6
- ion from octahedral geometry. The C3N3 skeleton of the [HC3N3Cl3]+ ion is nearly planar, but the hydrogen atom lies about 30 pm out of this plane.
Darstellung und Struktur dreier verschiedener Bis(ethylendiamin)-kupfer(II)-tetraborate / Preparation and Structure of Three Different Bis(ethylenediamine) Copper(II) Tetraborates
Authors: Shakibaie-Moghadam Mahmood , Timper Ulrich , Heller Gert 
Published: February 2015

Three different bis(ethylenediamine) Copper(II) tetraborates have been prepared: Cu(en)2[B4O5(OH)4] · 2B(OH)3 (A), 2{Cu(en)2B(OH)3 · H2O[B4O5(OH)4]} · H2O (B) and {Cu(H2O)2[B4O5(OH)4]2}(μ-H2O){Ag(en)2} · (μ-H2O){Na(H2O)2) (C).
The crystal structure analyses of A (monoclinic, P21/c, a = 1282.5(1), b = 1020.8(1), c = 1510.5(2) pm; β = 96.66(1)°, Z = 4), B (monoclinic, Pc, a = 1254.4(1), b = 914.1(1), c = 1594.2(2) pm; β = 94.79(1)°, Z = 2) and C (triclinic, P1, a = 846.3(3), b = 917.9(3), c = 928.1(7) pm; α = 93.71(6)°, β = 104.79(3)°, γ = 103.23(2)°; Z = 1) show that all compounds contain the tetraborate ion [B4O5(OH)4]2-. In A and B, there are tetraborate ions and boric acid molecules. The coordination sphere of the Cu2+ ion is Jahn-Teller distorted, coordinated by 2 en groups with 4 Cu-N distances between 196 and 206 pm, as well as by 2 OH groups with Cu-O distances of 251 to 274 pm.
In C, the Cu2+ ion is surrounded by 6 OH groups, and the Ag+ ion by 2 en and 2μ-H2O molecules.
Synthese von Alkin-, Alkinyl-und Vinyliden-Rhodium-Komplexen ausgehend von Alkinyltriphenylsilanen [1] / Synthesis of Alkyne, Alkynyl and Vinylidene Rhodium Complexes from Alkynyltriphenylsilanes [1]
Authors: Baum Matthias , Windmüller Bettina , Werner Helmut 
Published: February 2015

Abstract
Compound [RhCl(PiPr3)2]n (1) reacts with RC≡CSiPh3 to give the rhodium(I) complexes trans-[RhCl(RC≡CSiPh3)(PiPr3)2] (2-5) of which 2 (R = CH3) and 5 (R = C6H5) rearrange thermally to yield the vinylidene isomers trans-[RhCl(=C=C(SiPh3)(R)(PiPr3)2] (6,7). The reaction of 2 and 4 (R = CH2OMe) with NaC5H* affords the cyclopentadienyl complexes [C5H5Rh(RC≡CSiPh3)(PiPr3)] (8,9). The square-planar alkynylrhodium(I) compounds trans-[Rh(C≡CSiPh3)(L)(PiPr3)2] (12,13) are obtained from 10 or 11 on treatment with NaN(SiMe3)2; they react with cyclopentadiene to give [C5H5RhH(C≡CSiPh3)(PiPr3)] (14). Five- and six-coordinate bis(alkynyl)hydridorhodium(III) complexes
[RhH(C≡CSiPh3)(C≡CSiR3)(PiPr3)2] (15,16) and
[RhH(C≡CSiPh3)(C≡CSiR3)(py)(PiPr3)2] (17,18) are prepared from 12 and 13 by oxidative addition of HC≡CSiR3 (R = CH3, C6H5). The reaction of 12 with Me3SiC≡CCO2Et leads to the formation of trans-[Rh(C≡CSiPh3)(Me3SiC≡CCO2Et)(PiPr3)2] (19).
NaK9Tl13: Eine neue Verbindung an der Zintl-Grenze mit isolierten, von Thallium besetzten Tl17-Ikosaedern / NaK9Tl13: A New Compound at the Zintl Border with Isolated Tl12 Icosahedra, Centered by Tl Atoms
Authors: Cordier Gerhard , Müller Volker 
Published: February 2015

Abstract
NaK9Tl13 (a = 1152.0(1) pm, Im 3, Z = 1, R1 -0.029, wR2 = 0.0724) has been prepared from the elements and characterized by single crystal X-ray diffraction. The title compound contains isolated Tl12 icosahedra, which are centered by Tl atoms. The icosahedra are in an α-W-type arrangement.