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Title: Materials Data on La3MnBi5 by Materials Project

Abstract

La3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.28–3.68 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.96 Å. There are two inequivalent Bi sites. In the first 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 3.23 Å. In the second Bi site, Bi is bonded to five equivalent La and two equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing BiLa5Mn2 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-567915
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; La3MnBi5; Bi-La-Mn
OSTI Identifier:
1274125
DOI:
10.17188/1274125

Citation Formats

The Materials Project. Materials Data on La3MnBi5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1274125.
The Materials Project. Materials Data on La3MnBi5 by Materials Project. United States. doi:10.17188/1274125.
The Materials Project. 2019. "Materials Data on La3MnBi5 by Materials Project". United States. doi:10.17188/1274125. https://www.osti.gov/servlets/purl/1274125. Pub date:Tue Jun 04 00:00:00 EDT 2019
@article{osti_1274125,
title = {Materials Data on La3MnBi5 by Materials Project},
author = {The Materials Project},
abstractNote = {La3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.28–3.68 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.96 Å. There are two inequivalent Bi sites. In the first 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 3.23 Å. In the second Bi site, Bi is bonded to five equivalent La and two equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing BiLa5Mn2 pentagonal bipyramids.},
doi = {10.17188/1274125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}

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