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DOE OSTI · 1744395

Materials Data on TaB2Mo by Materials Project

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Abstract

TaMoB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ta3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ta–B bond distances ranging from 2.38–2.54 Å. Mo3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.56 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta3+, three equivalent Mo3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ta3+, four equivalent Mo3+, and two equivalent B3- atoms.

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36 MATERIALS SCIENCEB-Mo-Tacrystal structureTaB2Mo

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2020-05-02. Materials Data on TaB2Mo by Materials Project. https://doi.org/10.17188/1744395

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36 MATERIALS SCIENCE↗