Direct methods and powder data: State of the art and perspectives

被引:47
作者
Giacovazzo, C
机构
[1] Ist. Ric. Sviluppo Metodologie C., CNR, c/o Dipto. Geomineralogico, Campus Universitario, 70125 Bari
[2] Dipartimento Geomineralogico, Campus Universitario, 70125 Bari
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1996年 / 52卷
关键词
D O I
10.1107/S0108767395013651
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Solving crystal structures by applying direct methods to single-crystal data is a relatively easy task for structures with up to 100 atoms in the asymmetric unit. Their successful application to powder data is still a challenge unless the size of the structure is moderate. The rate of success depends on several factors like the efficiency of the full-pattern-decomposition programs, the peak overlapping, the presence of preferred orientation in the powder specimen, the nature of the background, the type of radiation used for collecting experimental data etc. The main factors are analysed in order to provide a clear description of the specific problems that have to be forced when direct phasing from powder data is attempted.
引用
收藏
页码:331 / 339
页数:9
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