Materials Data on RbEuSiS4 by Materials Project

Abstract

RbEuSiS4 crystallizes in the orthorhombic P2_12_12_1 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 3.37–3.67 Å. Eu3+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with two equivalent EuS7 pentagonal bipyramids, a cornercorner with one SiS4 tetrahedra, edges with two equivalent EuS7 pentagonal bipyramids, and edges with three equivalent SiS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 2.85–3.05 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share a cornercorner with one EuS7 pentagonal bipyramid and edges with three equivalent EuS7 pentagonal bipyramids. There are a spread of Si–S bond distances ranging from 2.10–2.13 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent Eu3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent Eu3+, and one Si4+ atom. In the third S2- site, S2- is bonded to three equivalent Rb1+, one Eu3+, and one Si4+ atom to form distorted corner-sharing SRb3EuSi trigonal bipyramids. In the fourth S2- site, S2- is bonded in a distorted see-saw-like geometry to one Rb1+, two equivalent Eu3+, and one Si4+ atom.