Clinoptilolite: the distribution of potassium atoms and its role in thermal stabilityZeitschrift 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 =...... hiện toàn bộ
Thermal analysis of the phases of HMX using X-ray diffractionZeitschrift 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 ...... hiện toàn bộ
First principles methods using CASTEPZeitschrift 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.
Macromolecular phasing with SHELXEZeitschrift 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... hiện toàn bộ
Thermal conductivity of the Al-based quasicrystals and approximantsZeitschrift 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 th...... hiện toàn bộ