Topological analysis of ionic packings in crystal structures of inorganic sulfides: the method of coordination sequences

Authors
Citation
Va. Blatov, Topological analysis of ionic packings in crystal structures of inorganic sulfides: the method of coordination sequences, Z KRISTALL, 216(3), 2001, pp. 165-171
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
216
Issue
3
Year of publication
2001
Pages
165 - 171
Database
ISI
SICI code
0044-2968(2001)216:3<165:TAOIPI>2.0.ZU;2-R
Abstract
Using the concept of coordination sequences and the uniformity criterion th e method of topological analysis of atomic packings and of their classifica tion at any degree of metric distortions is implemented in the computer pro gram IsoTest. The criterion is based on the search for packings topological ly similar, but not equal to close packings. The topological analysis of io nic sublattices was employed for the crystal structures of 781 inorganic su lfides. It was shown that no less than in the third of cases the sulfides a re constructed on the basis of a distorted close packing, and such packings are constructed with sufficiently large cations, as a rule. The examples o f forming close packings by complex thioanions contained in a number of thi osalts were drawn.