Ab initio molecular packing analysis

被引：62

作者：

Williams, DE

机构：

[1] Department of Chemistry, University of Louisville, Louisville

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 1996年 / 52卷

关键词：

D O I：

10.1107/S0108767395016679

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

There is an error in Table 10.2.2 of International Tables for Crystallography, Vol. A (Hahn, 1992, 1995). The multiplicity of (00l) and (00(l) over bar) belonging to the point group <(4)over bar m2> is 2 not 1. The equivalent reflections in the point group <(4)over bar m2> (Ibers, 1967; Ibers & Hamilton, 1973) are hkl = <(h)over bar kl> = h(k) over barl$ = <(hk)over bar l> = kh(l) over bar = <(k)over bar h(l)over bar> = <k(hl)over bar> = (khl) over bar. Substitution of h = k = 0 into the above relation results in 00l = 00(l) over bar. Therefore, the multiplicity of 00l or 00(l) over bar in the point group <(4)over bar m2> is 2.

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页码：326 / 328

页数：3

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