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Title: Materials Data on MgBi5 by Materials Project

Abstract

MgBi5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.19–3.56 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to four equivalent Mg and six Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.21–3.49 Å. In the second Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two equivalent Mg and four Bi atoms. Both Bi–Bi bond lengths are 3.42 Å. In the third Bi site, Bi is bonded in a 10-coordinate geometry to ten Bi atoms. There are two shorter (3.43 Å) and four longer (3.66 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and six Bi atoms. In the fifth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and two equivalent Bi atoms.

Publication Date:
Other Number(s):
mp-1185698
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; MgBi5; Bi-Mg
OSTI Identifier:
1707474
DOI:
https://doi.org/10.17188/1707474

Citation Formats

The Materials Project. Materials Data on MgBi5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707474.
The Materials Project. Materials Data on MgBi5 by Materials Project. United States. doi:https://doi.org/10.17188/1707474
The Materials Project. 2019. "Materials Data on MgBi5 by Materials Project". United States. doi:https://doi.org/10.17188/1707474. https://www.osti.gov/servlets/purl/1707474. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1707474,
title = {Materials Data on MgBi5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgBi5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.19–3.56 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to four equivalent Mg and six Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.21–3.49 Å. In the second Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two equivalent Mg and four Bi atoms. Both Bi–Bi bond lengths are 3.42 Å. In the third Bi site, Bi is bonded in a 10-coordinate geometry to ten Bi atoms. There are two shorter (3.43 Å) and four longer (3.66 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and six Bi atoms. In the fifth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and two equivalent Bi atoms.},
doi = {10.17188/1707474},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}