Materials Data on Rb2Cd(PSe3)2 by Materials Project

Abstract

Rb2Cd(PSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.57–4.19 Å. Cd2+ is bonded in an octahedral geometry to six Se2- atoms. There are a spread of Cd–Se bond distances ranging from 2.82–3.02 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Cd2+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Rb1+, one Cd2+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Cd2+, and one P4+ atom.