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Title: Materials Data on MgSb2 by Materials Project

Abstract

MgSb2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.17–3.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.27–3.44 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.18 Å. In the second Sb1- site, Sb1- is bonded in a 12-coordinate geometry to four equivalent Mg2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.33 Å. In the third Sb1- site, Sb1- is bonded to six Mg2+ and six Sb1- atoms to form a mixture of distorted face and corner-sharing SbMg6Sb6 cuboctahedra. Both Sb–Sb bond lengths are 3.30 Å. In the fourth Sb1- site, Sb1- is bonded in a 12-coordinate geometry to four Mg2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1094545
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MgSb2; Mg-Sb
OSTI Identifier:
1732756
DOI:
https://doi.org/10.17188/1732756

Citation Formats

The Materials Project. Materials Data on MgSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732756.
The Materials Project. Materials Data on MgSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1732756
The Materials Project. 2020. "Materials Data on MgSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1732756. https://www.osti.gov/servlets/purl/1732756. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732756,
title = {Materials Data on MgSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSb2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.17–3.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.27–3.44 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.18 Å. In the second Sb1- site, Sb1- is bonded in a 12-coordinate geometry to four equivalent Mg2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.33 Å. In the third Sb1- site, Sb1- is bonded to six Mg2+ and six Sb1- atoms to form a mixture of distorted face and corner-sharing SbMg6Sb6 cuboctahedra. Both Sb–Sb bond lengths are 3.30 Å. In the fourth Sb1- site, Sb1- is bonded in a 12-coordinate geometry to four Mg2+ atoms.},
doi = {10.17188/1732756},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}