Materials Data on Eu(BS2)2 by Materials Project

Abstract

Eu(BS2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Eu–S bond distances ranging from 2.94–3.55 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four S2- atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.92–1.95 Å. In the second B3+ site, B3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.88–1.97 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Eu2+ and two equivalent B3+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Eu2+ and two equivalent B3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms.