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Title: Materials Data on La5Bi3Br by Materials Project

Abstract

La5Bi3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Bi and two equivalent Br atoms. There are a spread of La–Bi bond distances ranging from 3.36–3.61 Å. Both La–Br bond lengths are 3.18 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All La–Bi bond lengths are 3.51 Å. Bi is bonded in a 9-coordinate geometry to nine La atoms. Br is bonded to six equivalent La atoms to form face-sharing BrLa6 octahedra.

Publication Date:
Other Number(s):
mp-30212
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; La5Bi3Br; Bi-Br-La
OSTI Identifier:
1204625
DOI:
https://doi.org/10.17188/1204625

Citation Formats

The Materials Project. Materials Data on La5Bi3Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204625.
The Materials Project. Materials Data on La5Bi3Br by Materials Project. United States. doi:https://doi.org/10.17188/1204625
The Materials Project. 2020. "Materials Data on La5Bi3Br by Materials Project". United States. doi:https://doi.org/10.17188/1204625. https://www.osti.gov/servlets/purl/1204625. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204625,
title = {Materials Data on La5Bi3Br by Materials Project},
author = {The Materials Project},
abstractNote = {La5Bi3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Bi and two equivalent Br atoms. There are a spread of La–Bi bond distances ranging from 3.36–3.61 Å. Both La–Br bond lengths are 3.18 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All La–Bi bond lengths are 3.51 Å. Bi is bonded in a 9-coordinate geometry to nine La atoms. Br is bonded to six equivalent La atoms to form face-sharing BrLa6 octahedra.},
doi = {10.17188/1204625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}