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DOE OSTI · 1263475

Materials Data on CdPS3 by Materials Project

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Abstract

CdPS3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one CdPS3 sheet oriented in the (0, 0, 1) direction. Cd2+ is bonded to six S2- atoms to form edge-sharing CdS6 octahedra. All Cd–S bond lengths are 2.76 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one P4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one P4+ atom.

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36 MATERIALS SCIENCECd-P-SCdPS3crystal structure

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2020-07-15. Materials Data on CdPS3 by Materials Project. https://doi.org/10.17188/1263475

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