Materials Data on HfNbB2 by Materials Project
HfNbB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Hf4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Hf–B bond distances ranging from 2.49–2.67 Å. Nb2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Nb–B bond distances ranging from 2.43–2.81 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Hf4+, four equivalent Nb2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.87 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Hf4+, three equivalent Nb2+, and two equivalent B3- atoms.
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