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Title: Materials Data on MgSb by Materials Project

Abstract

MgSb is Hazelwoodite-like structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted hexagonal planar geometry to six Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.96–3.15 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.19–3.51 Å. In the third Mg2+ site, Mg2+ is bonded to four Sb2- atoms to form distorted corner-sharing MgSb4 tetrahedra. There are two shorter (3.00 Å) and two longer (3.24 Å) Mg–Sb bond lengths. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Mg2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to eight Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Mg2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1094550
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; MgSb; Mg-Sb
OSTI Identifier:
1739402
DOI:
https://doi.org/10.17188/1739402

Citation Formats

The Materials Project. Materials Data on MgSb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739402.
The Materials Project. Materials Data on MgSb by Materials Project. United States. doi:https://doi.org/10.17188/1739402
The Materials Project. 2020. "Materials Data on MgSb by Materials Project". United States. doi:https://doi.org/10.17188/1739402. https://www.osti.gov/servlets/purl/1739402. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1739402,
title = {Materials Data on MgSb by Materials Project},
author = {The Materials Project},
abstractNote = {MgSb is Hazelwoodite-like structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted hexagonal planar geometry to six Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.96–3.15 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.19–3.51 Å. In the third Mg2+ site, Mg2+ is bonded to four Sb2- atoms to form distorted corner-sharing MgSb4 tetrahedra. There are two shorter (3.00 Å) and two longer (3.24 Å) Mg–Sb bond lengths. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Mg2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to eight Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Mg2+ atoms.},
doi = {10.17188/1739402},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}