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Title: Materials Data on Ta6Ga5 by Materials Project

Abstract

Ta6Ga5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 12-coordinate geometry to six Ta and six Ga atoms. There are two shorter (2.74 Å) and four longer (3.02 Å) Ta–Ta bond lengths. There are four shorter (2.71 Å) and two longer (2.92 Å) Ta–Ga bond lengths. In the second Ta site, Ta is bonded in a 7-coordinate geometry to four equivalent Ta and seven Ga atoms. There are a spread of Ta–Ga bond distances ranging from 2.74–2.87 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six equivalent Ta and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Ta atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight Ta atoms.

Publication Date:
Other Number(s):
mp-1190774
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; Ta6Ga5; Ga-Ta
OSTI Identifier:
1759653
DOI:
https://doi.org/10.17188/1759653

Citation Formats

The Materials Project. Materials Data on Ta6Ga5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759653.
The Materials Project. Materials Data on Ta6Ga5 by Materials Project. United States. doi:https://doi.org/10.17188/1759653
The Materials Project. 2020. "Materials Data on Ta6Ga5 by Materials Project". United States. doi:https://doi.org/10.17188/1759653. https://www.osti.gov/servlets/purl/1759653. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759653,
title = {Materials Data on Ta6Ga5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta6Ga5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 12-coordinate geometry to six Ta and six Ga atoms. There are two shorter (2.74 Å) and four longer (3.02 Å) Ta–Ta bond lengths. There are four shorter (2.71 Å) and two longer (2.92 Å) Ta–Ga bond lengths. In the second Ta site, Ta is bonded in a 7-coordinate geometry to four equivalent Ta and seven Ga atoms. There are a spread of Ta–Ga bond distances ranging from 2.74–2.87 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six equivalent Ta and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Ta atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight Ta atoms.},
doi = {10.17188/1759653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}