Inorganic crystal structures from powder data - A retrospection

被引：4

作者：

Smrcok, L ^{[1
]}

Mailing, J

机构：

[1] Slovak Acad Sci, Inst Inorgan Chem, Bratislava 84236, Slovakia

[2] Slovak Univ Technol Bratislava, Dept Ceram Glass & Cement, SK-81237 Bratislava, Slovakia

来源：

POWDER DIFFRACTION | 1999年 / 14卷 / 01期

关键词：

crystal structure; powder; X-ray; neutron;

D O I：

10.1017/S0885715600010228

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

More than 10 000 inorganic structures based on both X-ray and neutron powder diffraction data were extracted from the ICSD database and analyzed considering overall trends, cell symmetries, occurrence of the space groups, complexity, precision and reliability of reported data. It was found that the major amount of structures belong to higher symmetries and have 2-5 atoms in the asymmetric unit. Less than 35% of the e.s.d.'s of atomic coordinates is less than or equal to 10(-3) and 10(-4) or better was reached in only 5% of cases. Approximately one-quarter of papers contain possibly inaccurate atomic coordinates or interatomic distances. A short review of journals publishing structures derived from powders is also given. (C) 1999 International Centre for Diffraction Data. [S0885-7156(98)01503-6].

引用

页码：5 / 9

页数：5

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