Materials Data on CdPSe3 by Materials Project
CdPSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three CdPSe3 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent Se2- atoms to form edge-sharing CdSe6 octahedra. There are three shorter (2.88 Å) and three longer (2.89 Å) Cd–Se bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one P4+ atom.
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