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Title: 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°.

Publication Date:
Other Number(s):
mp-1990
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}