Materials Data on MgSb by Materials Project
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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