Materials Data on VCrB2 by Materials Project
(VCr)B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. V3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.20–2.30 Å. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.20–2.31 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent V3+, three equivalent Cr3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent V3+, four equivalent Cr3+, and two equivalent B3- atoms.
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