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Figure 7
The possible cluster configurations in crystal 3, which does not contain V. The numbers in parentheses specify the different environments (four in the supercell approximation) of the Mo6 units formed by the Mo(4) sites. These environments are denoted by the same numbers in Fig. 11[link]. For each environment the occupancy probabilities (× 102) of the four symmetry-related Mo(4) sites are indicated with the corresponding local stoichiometry (l.s.) and the possible cluster configurations i are proposed with their pi percentages (× 102). The Mo6 unit is represented by a square. If ni is the number of Mo atoms (ni = 1, 2, 3 or 4) filling the Mo(4) sites, the relations l.s. = 6 + [\sum_in_ip_i] and [\sum_ip_i = 1] have to be satisfied simultaneously.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 55| Part 4| August 1999| Pages 467-483
doi:10.1107/S0108768199000452
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