Materials Data on EuPS3 by Materials Project

Abstract

EuPS3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.02–3.20 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.02–3.20 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.03–2.05 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.03–2.05 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Eu2+ and one P4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Eu2+ and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one P4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two Eu2+ and one P4+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to three Eu2+ and one P4+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one P4+ atom.