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 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 0027-1314 1935-0260 |
DOI: | 10.3103/S0027131412020034 |