SiBr4--prediction and determination of crystal structures.
@article{Wolf2009SiBr4predictionAD,
title={SiBr4--prediction and determination of crystal structures.},
author={Alexandra K. Wolf and J{\"u}rgen Glinnemann and Martin U. Schmidt and Jianwei Tong and Robert E. Dinnebier and Arndt Simon and J{\"u}rgen K{\"o}hler},
journal={Acta crystallographica. Section B, Structural science},
year={2009},
volume={65 Pt 3},
pages={
342-9
}
}For SiBr4 no crystal structures have been reported yet. In this work the crystal structures of SiBr4 were predicted by global lattice-energy minimizations using force-field methods. Over an energy range of 5 kJ mol(-1) above the global minimum ten possible structures were found. Two of these structures were experimentally determined from X-ray synchrotron powder diffraction data: The low-temperature beta phase crystallizes in P2(1)/c, the high-temperature alpha phase in Pa3. Temperature…
5 Citations
Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane.
- Materials Science, ChemistryActa crystallographica. Section B, Structural science
- 2010
Low-temperature crystallization at 100 K resulted in a single crystal, and its crystal structure has been determined and corresponds to the predicted structure with the second lowest energy rank.
Refinement of the crystal structure of α-silicon tetrabromide, α-SiBr4, a room temperature modification
- Materials Science
- 2011
Br4Si, Pa3 (no. 205), a = 11.152(1) Å, V = 1386.9 Å, Z = 8, Rgt(F) = 0.046, wRref(F) = 0.087, T = 223 K. Source of material Liquid SiBr4 (Aldrich, 99.995 %) was filled in capillaries with 0.3 mm…
Refinement of the crystal structure of β-silicon tetrabromide, β-SiBr4, at 271 K
- Materials Science
- 2011
Br4Si, monoclinic, P121/c1 (no. 14), a = 10.285(2) Å, b = 6.763(1) Å, c = 10.377(2) Å, ' = 103.15(3)°, V = 702.8 Å, Z = 4, Rgt(F) = 0.037, wRref(F) = 0.084, T = 271 K. Source of material Liquid SiBr4…
High-pressure structural properties of tetramethylsilane*
- Materials Science, Chemistry
- 2016
High-pressure structural properties of tetramethylsilane are investigated by synchrotron powder x-ray diffraction at pressures up to 31.1 GPa and room temperature. A phase with the space group of…
Halides: Solid‐State Chemistry
- Chemistry, Materials Science
- 2014
This review on binary metal halides demonstrates their enormous richness of structural topologies as well as compositions. It emphasizes thermodynamic stabilities, influences of size and…
References
SHOWING 1-10 OF 19 REFERENCES
Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction
- Materials Science, Chemistry
- 1988
Structure of alpha‐CF4 at low temperature
- Physics
- 1989
The structural data on the molecular packing of alpha‐CF4 found in the literature are contradictory. The crystal static energy is calculated in order to determine the orientation of the CF4 molecule…
Die Kristallstruktur von CI4
- Materials Science, Chemistry
- 1982
The crystal and molecular structure of CI4 was determined from single crystal X-ray data. The compound crystallizes in the tetragonal space group 142m (a = 640.9, c = 955.8 pm, V = 393 · 10pm, Ζ =…
The structure of solid carbon tetrafluoride
- Chemistry, Materials Science
- 1993
The structure of phase II of CF4 has been refined in the monoclinic space group C2/n (No. 15) from high-resolution powder neutron diffraction data. At 1.5 K the lattice parameters are a = 8.4098(2)…
Packing of tetrahedral EX4 molecules with E = C, Si, Ge, Sn, Pb and X = F, Cl, Br, I
- Materials Science, Chemistry
- 2008
The crystal structures of EX4 molecules with E = C, Si, Ge, Sn, Pb and X = F, Cl, Br and I were investigated by geometrical packing analysis, lattice-energy minimisations and analysis of the…
An Electron Diffraction Investigation of the Molecular Structures of Silicon Tetrabromide, Tribromosilane, and Dibromodifluorosilane
- Physics
- 1942
The bond lengths in the halides of the fourth, fifth, and sixth group elements are in general considerably shorter than the sums of the corresponding Pauling-Huggins covalent radii. This discrepancy…
DREIDING: A generic force field for molecular simulations
- Chemistry
- 1990
We report the parameters for a new generic force field, DREIDING, that we find useful for predicting structures and dynamics of organic, biological, and main-group inorganic molecules. The philosophy…
Indexing of powder diffraction patterns by iterative use of singular value decomposition
- Computer Science
- 2003
Comparison with three of the most popular indexing programs, namely ITO, DICVOL91 and TREOR90, has shown that the present method as implemented in the program TOPAS is more successful at indexing simulated data.
Zinnhalogenverbindungen. II. Die Molekül- und Kristallstrukturen von Zinn(IV)-bromid und -iodid
- Chemistry, Materials Science
- 2001
Single crystals of tin(IV) bromide and iodide were obtained by sublimation (SnBr 4 ) and recrystallization (SnI 4 ). The crystal structures of this compounds were examined by means of X-ray…
The charge-transfer motif in crystal engineering. Self-assembly of acentric (diamondoid) networks from halide salts and carbon tetrabromide as electron-donor/acceptor synthons.
- ChemistryJournal of the American Chemical Society
- 2003
X-ray crystallographic analyses identify the consistent formation of diamondoid networks, the dimensionality of which is dictated by the size of the tetraalkylammonium counterion.





