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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) August 25, 2010

A geometrical interpretation of the structural parameter of chalcopyrite (E11) type compounds ABC2

Abstract

Compounds ABC2 of the chalcopyrite type are classified from a geometrical point of view according to the dependence of the axial ratio c/a on the structural parameter u. They belong to one out of 18 classes where certain pairs of interatomic distances (not necessarily nearest neighbour distances) are equal for all members of the class. Due to their limited accuracy, the experimental data c/a = f(u) of 30 compounds were sorted into 4 families the unit cell distortion of which is quite different. Hitherto unknown structural parameters have been predicted from the axial ratio of the compounds.

Published Online: 2010-08-25
Published in Print: 1985
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