Number of generating elements in space group of a crystal

The numerical parameter Q (the critical coordination number), which characterizes the smallest number of contacts sufficient for the formation of this structure is constructed based on the power |g| of the minimal set of generating elements | g | of space group G . The calculation of |g| for space g...

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Veröffentlicht in:Moscow University chemistry bulletin 2012-03, Vol.67 (2), p.50-58
Hauptverfasser: Lord, E. A., Banaru, A. M.
Format: Artikel
Sprache:eng
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Zusammenfassung:The numerical parameter Q (the critical coordination number), which characterizes the smallest number of contacts sufficient for the formation of this structure is constructed based on the power |g| of the minimal set of generating elements | g | of space group G . The calculation of |g| for space groups with the lowest isometric systems was carried out according to the developed algorithm. The structural classes of crystals corresponding to Q = 1 were derived. The selection of relevant structures in the Cambridge database (CSD) was carried out and typical representatives were considered.
ISSN:0027-1314
1935-0260
DOI:10.3103/S0027131412020034