Materials Data on RbLaSiS4 by Materials Project

Abstract

RbLaSiS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.63 Å. La3+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.91–3.51 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.14 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent La3+, and one Si4+ atom. In the second S2- site, S2- is bonded to three equivalent Rb1+, one La3+, and one Si4+ atom to form distorted corner-sharing SRb3LaSi trigonal bipyramids. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one Rb1+, three equivalent La3+, and one Si4+ atom.