Structure of Alpha GeTe

Abstract

The parameters in the crystal structure of α‐GeTe were determined by least‐squares analysis of intensity data obtained with an automatic x‐ray powder diffractometer. The rhombohedral cell containing 4 Ge and 4 Te atoms has a=5.996±0.001 Å, α=88.18°, and the single atom‐position parameter x=0.237±0.002. The displacement of one sublattice with respect to the other from the relative position that would correspond to the NaCl structure (i.e., x=0.250) corroborates the predictions, based on band calculations, of Cohen, Falicov, and Golin.