Materials Data on CsEuAsS3 by Materials Project

Abstract

CsEuAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.53–3.91 Å. Eu2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Eu–S bond distances ranging from 2.95–3.39 Å. As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.30 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to one Cs1+, four equivalent Eu2+, and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Eu2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Eu2+, and one As3+ atom.