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E. A. Lord, A. M. Banaru
The number of generators of a crystallographic space group
Abstract
On the basis of cardinality |g|
of a minimal generator set of a space group G, a numeric parameter Q
called critical coordination number was constructed. It characterizes the least
number of contacts enough for forming a given structure. With the aid of
established algorithm |g| was calculated for trimetric space groups.
Structural classes corresponding to Q = 1 were derived. The
selection of such structures in Cambridge Structural Database was performed,
and some typical representatives considered.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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