Materials Data on YB2Mo by Materials Project

Abstract

YMoB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Y–B bond distances ranging from 2.67–2.90 Å. Mo3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.23 Å) and four longer (2.38 Å) Mo–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 8-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 2-coordinate geometry to three equivalent Y3+, four equivalent Mo3+, and two equivalent B3- atoms.