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Title: Materials Data on Ta5Ge2B by Materials Project

Abstract

Ta5BGe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted square co-planar geometry to two equivalent B and four equivalent Ge atoms. Both Ta–B bond lengths are 3.03 Å. All Ta–Ge bond lengths are 2.52 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to two equivalent B and three equivalent Ge atoms. Both Ta–B bond lengths are 2.67 Å. There are one shorter (2.67 Å) and two longer (2.74 Å) Ta–Ge bond lengths. B is bonded in a 10-coordinate geometry to ten Ta atoms. Ge is bonded in a 9-coordinate geometry to eight Ta and one Ge atom. The Ge–Ge bond length is 2.48 Å.

Publication Date:
Other Number(s):
mp-1218007
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; Ta5Ge2B; B-Ge-Ta
OSTI Identifier:
1722404
DOI:
https://doi.org/10.17188/1722404

Citation Formats

The Materials Project. Materials Data on Ta5Ge2B by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722404.
The Materials Project. Materials Data on Ta5Ge2B by Materials Project. United States. doi:https://doi.org/10.17188/1722404
The Materials Project. 2019. "Materials Data on Ta5Ge2B by Materials Project". United States. doi:https://doi.org/10.17188/1722404. https://www.osti.gov/servlets/purl/1722404. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722404,
title = {Materials Data on Ta5Ge2B by Materials Project},
author = {The Materials Project},
abstractNote = {Ta5BGe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted square co-planar geometry to two equivalent B and four equivalent Ge atoms. Both Ta–B bond lengths are 3.03 Å. All Ta–Ge bond lengths are 2.52 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to two equivalent B and three equivalent Ge atoms. Both Ta–B bond lengths are 2.67 Å. There are one shorter (2.67 Å) and two longer (2.74 Å) Ta–Ge bond lengths. B is bonded in a 10-coordinate geometry to ten Ta atoms. Ge is bonded in a 9-coordinate geometry to eight Ta and one Ge atom. The Ge–Ge bond length is 2.48 Å.},
doi = {10.17188/1722404},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}