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Title: Materials Data on La10Al5Br4 by Materials Project

Abstract

La10Al5Br4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 1-coordinate geometry to five Al and one Br atom. There are one shorter (3.26 Å) and four longer (3.35 Å) La–Al bond lengths. The La–Br bond length is 3.22 Å. In the second La site, La is bonded in a 8-coordinate geometry to three equivalent Al and five Br atoms. There are one shorter (3.23 Å) and two longer (3.24 Å) La–Al bond lengths. There are a spread of La–Br bond distances ranging from 3.11–3.54 Å. In the third La site, La is bonded to five Al atoms to form a mixture of distorted corner and edge-sharing LaAl5 trigonal bipyramids. There are a spread of La–Al bond distances ranging from 3.33–3.45 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to eight La and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded in a distorted q6 geometry to ten La atoms. There are two inequivalent Br sites. In the first Br site,more » Br is bonded in a 6-coordinate geometry to six equivalent La atoms. In the second Br site, Br is bonded to five La atoms to form corner-sharing BrLa5 square pyramids.« less

Publication Date:
Other Number(s):
mp-569477
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; La10Al5Br4; Al-Br-La
OSTI Identifier:
1275115
DOI:
10.17188/1275115

Citation Formats

The Materials Project. Materials Data on La10Al5Br4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275115.
The Materials Project. Materials Data on La10Al5Br4 by Materials Project. United States. doi:10.17188/1275115.
The Materials Project. 2020. "Materials Data on La10Al5Br4 by Materials Project". United States. doi:10.17188/1275115. https://www.osti.gov/servlets/purl/1275115. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1275115,
title = {Materials Data on La10Al5Br4 by Materials Project},
author = {The Materials Project},
abstractNote = {La10Al5Br4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 1-coordinate geometry to five Al and one Br atom. There are one shorter (3.26 Å) and four longer (3.35 Å) La–Al bond lengths. The La–Br bond length is 3.22 Å. In the second La site, La is bonded in a 8-coordinate geometry to three equivalent Al and five Br atoms. There are one shorter (3.23 Å) and two longer (3.24 Å) La–Al bond lengths. There are a spread of La–Br bond distances ranging from 3.11–3.54 Å. In the third La site, La is bonded to five Al atoms to form a mixture of distorted corner and edge-sharing LaAl5 trigonal bipyramids. There are a spread of La–Al bond distances ranging from 3.33–3.45 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to eight La and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded in a distorted q6 geometry to ten La atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 6-coordinate geometry to six equivalent La atoms. In the second Br site, Br is bonded to five La atoms to form corner-sharing BrLa5 square pyramids.},
doi = {10.17188/1275115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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