High-order thermal-motion tensor analyses of tridymite

High-order thermal-motion tensor analyses of tridymite
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鳞石英的高阶热运动张量分析

DOI:
10.1524/zkri.1986.177.14.39
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发表时间:
1986
期刊:
Zeitschrift für Kristallographie - Crystalline Materials
影响因子:
--
通讯作者:
M. Imamura
M. Imamura
中科院分区:
--
文献类型:
--
作者:
K. Kihara;Takeo Matsumoto;M. Imamura

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Two least-squares methods based on the Gram-Charlier expansion and the Edgeworth expansion were applied to a test structure to examine their usefulness in analysing multimodal density distribution of atoms. The Gram-Charlier expansion was more successful to reproduce the test structure than the Edgeworth expansion. The least-squares method based on the Gram-Charlier expansion was applied to the high temperature forms of tridymite to analyse density distribution of Ο atoms. The obtained density distribution of Ο was concave and nearly concentric at both 693 and 733 Κ (hexagonal), but clearly bimodal, at 493 Κ (orthorhombic), with the mean positions of low densities.