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Materials Data on MgSb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1726683· OSTI ID:1726683
MgSb crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.84–3.03 Å. In the second Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.01–3.12 Å. In the third Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.22–3.42 Å. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Mg2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to six Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Mg2+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1726683
Report Number(s):
mp-1094557
Country of Publication:
United States
Language:
English

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