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Title: Materials Data on Ta3B4 by Materials Project

Abstract

Ta3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ta4+ sites. In the first Ta4+ site, Ta4+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing TaB12 cuboctahedra. There are eight shorter (2.46 Å) and four longer (2.50 Å) Ta–B bond lengths. In the second Ta4+ site, Ta4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ta–B bond distances ranging from 2.37–2.55 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven Ta4+ and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six Ta4+ and three B3- atoms. The B–B bond length is 1.81 Å.

Publication Date:
Other Number(s):
mp-10142
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ta3B4; B-Ta
OSTI Identifier:
1186674
DOI:
10.17188/1186674

Citation Formats

The Materials Project. Materials Data on Ta3B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186674.
The Materials Project. Materials Data on Ta3B4 by Materials Project. United States. doi:10.17188/1186674.
The Materials Project. 2020. "Materials Data on Ta3B4 by Materials Project". United States. doi:10.17188/1186674. https://www.osti.gov/servlets/purl/1186674. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186674,
title = {Materials Data on Ta3B4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ta4+ sites. In the first Ta4+ site, Ta4+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing TaB12 cuboctahedra. There are eight shorter (2.46 Å) and four longer (2.50 Å) Ta–B bond lengths. In the second Ta4+ site, Ta4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ta–B bond distances ranging from 2.37–2.55 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven Ta4+ and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six Ta4+ and three B3- atoms. The B–B bond length is 1.81 Å.},
doi = {10.17188/1186674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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