Topological analyses of cuprite, Cu2O, using high-energy synchrotron-radiation data

被引:46
作者
Lippmann, T [1 ]
Schneider, JR [1 ]
机构
[1] DESY, Hamburger Synchrontronstschlungslab HASYLAB, D-22603 Hamburg, Germany
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 2000年 / 56卷
关键词
D O I
10.1107/S0108767300010254
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Topological analyses were performed on room-temperature and low-temperature high-energy synchrotron-radiation data from cuprite, Cu2O, using both single-exponential and analytical functions in the multipole model. Differences between the refinements of the data sets turned out to be small and the data were found to be well suited for the analyses and for evaluations of further properties, e.g. the electrostatic potential and the Laplacian. The ionic character of the the copper-oxygen bond was impressively underlined by the results. On the `empty' tetrahedral sites, minima of the charge density were always found.
引用
收藏
页码:575 / 584
页数:10
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