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Title: Materials Data on SiAs2 by Materials Project

Abstract

SiAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Si4+ is bonded to six equivalent As2- atoms to form SiAs6 octahedra that share corners with twelve equivalent SiAs6 octahedra and corners with six equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Si–As bond lengths are 2.55 Å. As2- is bonded to three equivalent Si4+ and one As2- atom to form distorted AsSi3As tetrahedra that share corners with three equivalent SiAs6 octahedra and corners with fifteen equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.45 Å.

Publication Date:
Other Number(s):
mp-21268
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; SiAs2; As-Si
OSTI Identifier:
1196536
DOI:
https://doi.org/10.17188/1196536

Citation Formats

The Materials Project. Materials Data on SiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196536.
The Materials Project. Materials Data on SiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1196536
The Materials Project. 2020. "Materials Data on SiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1196536. https://www.osti.gov/servlets/purl/1196536. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1196536,
title = {Materials Data on SiAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {SiAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Si4+ is bonded to six equivalent As2- atoms to form SiAs6 octahedra that share corners with twelve equivalent SiAs6 octahedra and corners with six equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Si–As bond lengths are 2.55 Å. As2- is bonded to three equivalent Si4+ and one As2- atom to form distorted AsSi3As tetrahedra that share corners with three equivalent SiAs6 octahedra and corners with fifteen equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.45 Å.},
doi = {10.17188/1196536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}