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Title: Materials Data on La3ScBi5 by Materials Project

Abstract

La3ScBi5 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 3.33–3.53 Å. Sc is bonded to six equivalent Bi atoms to form face-sharing ScBi6 octahedra. All Sc–Bi bond lengths are 3.05 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent La and two equivalent Sc atoms to form a mixture of distorted edge, corner, and face-sharing BiLa5Sc2 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-569411
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; La3ScBi5; Bi-La-Sc
OSTI Identifier:
1275085
DOI:
10.17188/1275085

Citation Formats

The Materials Project. Materials Data on La3ScBi5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275085.
The Materials Project. Materials Data on La3ScBi5 by Materials Project. United States. doi:10.17188/1275085.
The Materials Project. 2020. "Materials Data on La3ScBi5 by Materials Project". United States. doi:10.17188/1275085. https://www.osti.gov/servlets/purl/1275085. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275085,
title = {Materials Data on La3ScBi5 by Materials Project},
author = {The Materials Project},
abstractNote = {La3ScBi5 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 3.33–3.53 Å. Sc is bonded to six equivalent Bi atoms to form face-sharing ScBi6 octahedra. All Sc–Bi bond lengths are 3.05 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent La and two equivalent Sc atoms to form a mixture of distorted edge, corner, and face-sharing BiLa5Sc2 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 = {10.17188/1275085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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