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Title: Materials Data on La3MgBi5 by Materials Project

Abstract

La3MgBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Bi atoms to form face-sharing MgBi6 octahedra. All Mg–Bi bond lengths are 3.10 Å. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.34–3.50 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to two equivalent Mg and five equivalent La atoms to form a mixture of distorted corner, edge, and face-sharing BiLa5Mg2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.

Publication Date:
Other Number(s):
mp-568964
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; La3MgBi5; Bi-La-Mg
OSTI Identifier:
1274846
DOI:
10.17188/1274846

Citation Formats

The Materials Project. Materials Data on La3MgBi5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274846.
The Materials Project. Materials Data on La3MgBi5 by Materials Project. United States. doi:10.17188/1274846.
The Materials Project. 2020. "Materials Data on La3MgBi5 by Materials Project". United States. doi:10.17188/1274846. https://www.osti.gov/servlets/purl/1274846. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274846,
title = {Materials Data on La3MgBi5 by Materials Project},
author = {The Materials Project},
abstractNote = {La3MgBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Bi atoms to form face-sharing MgBi6 octahedra. All Mg–Bi bond lengths are 3.10 Å. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.34–3.50 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to two equivalent Mg and five equivalent La atoms to form a mixture of distorted corner, edge, and face-sharing BiLa5Mg2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.},
doi = {10.17188/1274846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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