The crystal structure of Bi2Te2Se has been determined by X-ray single crystal methods. The unit cell is trigonal, space group [Formula: see text] with hexagonal cell edges a = 4.28 ± 0.02 Å, c = 29.86 ± 0.10 Å, and there are three formula units per unit cell. The structure is of the C33 type and a comparison is made with other C33 structures, Bi2Se3, Bi2Te3, and Bi2Te2S. An important common feature of these compounds is that the atom on the center of symmetry has a relatively large contact distance with each of its six Bi neighbors.
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Bland et al. (1961) studied this question.