Materials Data on Mg3As2 by Materials Project
Mg3As2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing MgAs4 tetrahedra. There are a spread of Mg–As bond distances ranging from 2.63–2.74 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second As3- site, As3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedral tilt angles are 60°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1195087
- Report Number(s):
- mp-1990
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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