Materials Data on MgSb by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1754095· OSTI ID:1754095

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 6-coordinate geometry to six Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.19–3.32 Å. In the second 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 3.01–3.20 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted pentagonal planar geometry to five Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.13–3.23 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 6-coordinate geometry to six Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six 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: 1754095
• Report Number(s): mp-1094204
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Sb
MgSb
crystal structure