Zeitschrift fur Kristallographie - Crystalline Materials

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Structural characteristics of cadmium(II) bis(N,N-dialkyldithiocarbamate) compounds
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 214 Số 10 - Trang 670-676 - 1999
M. J. Cox, E.R.T. Tiekink
Abstract The crystal and molecular structures of four colorless Cd(S2CNR2)2 compounds have been determined. The crystals of Cd(S2CNiPr2)2, C14H28CdN2S4, (determined at 293 K) are monoclinic, space group P21/n with unit cell dimensions a = 11.611(5) Å, b = 11.228(9) Å, c = 16.767(2) Å, β = 108.90(2)°, Z = 4 and D x = 1.494 Mg m−3. Crystals of Cd(S2CN(Et)Cy)2, C18H32CdN2S4, (200 K) are monoclinic, s... hiện toàn bộ
Mathematische Theorie der Regelung nach der Korngestah bei affiner Deformation
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 81 Số 1-6 - Trang 285-297 - 1932
Artur March
Clinoptilolite: the distribution of potassium atoms and its role in thermal stability
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 145 Số 3-4 - Trang 216-239 - 1977
Koyama, Takéuchi
Abstract The crystal structure of clinoptilolite has been worked out, based on C2/m, using two crystals from two different localities: one from Kuruma Pass, Japan, a = 17.660(4) Å, b = 17.963(5) Å, c = 7.400(3) Å, β = 116.47(3)°, and the other from Agoura, U. S. A., a = 17.662(4) Å, b = 17.911(5) Å, c = 7.407(3) Å, β = 116.40(3)°. In the tetrahedral framework of the heulandite type there are recog... hiện toàn bộ
The Crystal Structure of TlSe, Thallous Thallic or Thallosic Selenide
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 101 Số 1-6 - Trang 396-405 - 1939
J. Α. Α. Ketelaar, W. H. t'Hart, M. Moerel, D. Polder
Crystal structure of bis[chloro-1kCl-μ-hydroxo-μ-oxo-(tetraphenyl-1K 2C,2K 2C)ditin], [Cl(C6H5)2Sn(OH)OSn(C6H5)2]2
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 209 Số 7 - Trang 622-623 - 1994
Cox, Tiekink
Thermal analysis of the phases of HMX using X-ray diffraction
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 204 Số 1 - Trang 121-128 - 1993
M. Herrmann, W. Engel, N. Eisenreich
Abstract The 4 phases of HMX and its transitions were investigated using X-ray diffraction. The phases were heated stepwise in a temperature range from 170 K to 510 K, measuring a diffraction pattern after each step. The thermal expansion of the different phases and the volume changes during the phase transitions were obtained. Anomalies and strongly anisotropic expansions were observed with β- an... hiện toàn bộ
First principles methods using CASTEP
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 220 Số 5-6 - Trang 567-570 - 2005
Stewart J. Clark, Matthew Segall, Chris J. Pickard, Phil Hasnip, Matt Probert, Keith Refson, M. C. Payne
Abstract The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and capabilities highlighted. Some features which are unique to CASTEP will be described and near-future development plans outlined.
The crystal structure of Benzoic Acid: a redetermination with X-rays at room temperature; a summary of neutron-diffraction work at temperatures down to 5 K
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 157 Số 3-4 - Trang 215-231 - 1981
Feld, Lehmann, Muir, Speakman
Abstract The crystal structure of benzoic acid, C6H5CO2H, has been redetermined by X-ray diffraction at room temperature. Extensive neutron-diffraction measurements have also been made: by single-crystal methods at room temperature and 130 K; and, at 130 K and 5 K, by powder-profile analysis on C6D5CO2H. The structure consists of centrosymmetric dimers [formula (1)], in which two molecules are lin... hiện toàn bộ
Macromolecular phasing with SHELXE
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 217 Số 12 - Trang 644-650 - 2002
George M. Sheldrick
Abstract SHELXE was designed to provide a simple, fast and robust route from substructure sites found by the program SHELXD to an initial electron density map, if possible with an indication as to which heavy-atom enantiomorph is correct. This should be understood as a small contribution to high-throughput structural genomics. The new sphere of influence algorithm combined with a fuzzy solvent bou... hiện toàn bộ
Thermal conductivity of the Al-based quasicrystals and approximants
Zeitschrift fur Kristallographie - Crystalline Materials - Tập 224 Số 1-2 - Trang 35-38 - 2009
Tsunehiro Takeuchi
Abstract At high temperatures above 200 K, significant increase in thermal conductivity (κ) was observed for the Al-based icosahedral quasicrystals and their corresponding approximants. By comparing the measured κ of the Al—Re—Si 1/1-cubic approximants with their electronic density of states at the Fermi level (ε F) determined by the low temperature specific heat measurements, we found that the in... hiện toàn bộ
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