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Title: Materials Data on MgSiAs2 by Materials Project

Abstract

MgSiAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with four equivalent MgAs4 tetrahedra and corners with eight equivalent SiAs4 tetrahedra. All Mg–As bond lengths are 2.64 Å. Si4+ is bonded to four equivalent As3- atoms to form SiAs4 tetrahedra that share corners with four equivalent SiAs4 tetrahedra and corners with eight equivalent MgAs4 tetrahedra. All Si–As bond lengths are 2.38 Å. As3- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form corner-sharing AsMg2Si2 tetrahedra.

Publication Date:
Other Number(s):
mp-1016197
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; MgSiAs2; As-Mg-Si
OSTI Identifier:
1344561
DOI:
10.17188/1344561

Citation Formats

The Materials Project. Materials Data on MgSiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1344561.
The Materials Project. Materials Data on MgSiAs2 by Materials Project. United States. doi:10.17188/1344561.
The Materials Project. 2020. "Materials Data on MgSiAs2 by Materials Project". United States. doi:10.17188/1344561. https://www.osti.gov/servlets/purl/1344561. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1344561,
title = {Materials Data on MgSiAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSiAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with four equivalent MgAs4 tetrahedra and corners with eight equivalent SiAs4 tetrahedra. All Mg–As bond lengths are 2.64 Å. Si4+ is bonded to four equivalent As3- atoms to form SiAs4 tetrahedra that share corners with four equivalent SiAs4 tetrahedra and corners with eight equivalent MgAs4 tetrahedra. All Si–As bond lengths are 2.38 Å. As3- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form corner-sharing AsMg2Si2 tetrahedra.},
doi = {10.17188/1344561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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