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DOE OSTI · 1725513

Materials Data on TiNbB2 by Materials Project

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Abstract

TiNbB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ti–B bond distances ranging from 2.39–2.60 Å. Nb2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Nb–B bond distances ranging from 2.40–2.57 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ti4+, three equivalent Nb2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.84 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ti4+, four equivalent Nb2+, and two equivalent B3- atoms.

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36 MATERIALS SCIENCEB-Nb-Ticrystal structureTiNbB2

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2020-05-02. Materials Data on TiNbB2 by Materials Project. https://doi.org/10.17188/1725513

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36 MATERIALS SCIENCE↗