Materials Data on Mg3As2 by Materials Project
Abstract
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°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1990
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mg3As2; As-Mg
- OSTI Identifier:
- 1195087
- DOI:
- https://doi.org/10.17188/1195087
Citation Formats
The Materials Project. Materials Data on Mg3As2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195087.
The Materials Project. Materials Data on Mg3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1195087
The Materials Project. 2020.
"Materials Data on Mg3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1195087. https://www.osti.gov/servlets/purl/1195087. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1195087,
title = {Materials Data on Mg3As2 by Materials Project},
author = {The Materials Project},
abstractNote = {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°.},
doi = {10.17188/1195087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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