Materials Data on MnReB2 by Materials Project

Abstract

ReMnB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Re4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.35 Å. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.18–2.45 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Re4+, three equivalent Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Re4+, four equivalent Mn2+, and two equivalent B3- atoms.