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Title: Materials Data on TaBe12 by Materials Project

Abstract

Be12Ta crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ta atom. There are a spread of Be–Be bond distances ranging from 2.15–2.34 Å. The Be–Ta bond length is 2.57 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ta atoms to form a mixture of distorted corner, edge, and face-sharing BeTa2Be10 cuboctahedra. There are two shorter (2.11 Å) and four longer (2.12 Å) Be–Be bond lengths. Both Be–Ta bond lengths are 2.79 Å. In the third Be site, Be is bonded in a distorted q6 geometry to ten Be and two equivalent Ta atoms. Both Be–Be bond lengths are 2.23 Å. Both Be–Ta bond lengths are 2.63 Å. Ta is bonded in a 12-coordinate geometry to twenty Be atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-567842
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; TaBe12; Be-Ta
OSTI Identifier:
1183325
DOI:
10.17188/1183325

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TaBe12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183325.
Persson, Kristin, & Project, Materials. Materials Data on TaBe12 by Materials Project. United States. doi:10.17188/1183325.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TaBe12 by Materials Project". United States. doi:10.17188/1183325. https://www.osti.gov/servlets/purl/1183325. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1183325,
title = {Materials Data on TaBe12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Be12Ta crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ta atom. There are a spread of Be–Be bond distances ranging from 2.15–2.34 Å. The Be–Ta bond length is 2.57 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ta atoms to form a mixture of distorted corner, edge, and face-sharing BeTa2Be10 cuboctahedra. There are two shorter (2.11 Å) and four longer (2.12 Å) Be–Be bond lengths. Both Be–Ta bond lengths are 2.79 Å. In the third Be site, Be is bonded in a distorted q6 geometry to ten Be and two equivalent Ta atoms. Both Be–Be bond lengths are 2.23 Å. Both Be–Ta bond lengths are 2.63 Å. Ta is bonded in a 12-coordinate geometry to twenty Be atoms.},
doi = {10.17188/1183325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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