Materials Data on MgAs by Materials Project
MgAs crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Mg–As bond distances ranging from 2.72–2.91 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Mg–As bond distances ranging from 2.71–2.91 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to six Mg2+ atoms to form distorted corner-sharing AsMg6 pentagonal pyramids. In the second As2- site, As2- is bonded in a 7-coordinate geometry to six Mg2+ and one As2- atom. The As–As bond length is 2.54 Å.
- 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:
- 1700313
- Report Number(s):
- mp-1185845
- Country of Publication:
- United States
- Language:
- English
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