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Title: Materials Data on SiAs3 by Materials Project

Abstract

SiAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si4+ is bonded to twelve equivalent As+1.33- atoms to form a mixture of distorted corner and face-sharing SiAs12 cuboctahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Si–As bond lengths. As+1.33- is bonded in a 6-coordinate geometry to four equivalent Si4+ and two equivalent As+1.33- atoms. Both As–As bond lengths are 2.61 Å.

Publication Date:
Other Number(s):
mp-978567
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; SiAs3; As-Si
OSTI Identifier:
1315969
DOI:
https://doi.org/10.17188/1315969

Citation Formats

The Materials Project. Materials Data on SiAs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315969.
The Materials Project. Materials Data on SiAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1315969
The Materials Project. 2020. "Materials Data on SiAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1315969. https://www.osti.gov/servlets/purl/1315969. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315969,
title = {Materials Data on SiAs3 by Materials Project},
author = {The Materials Project},
abstractNote = {SiAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si4+ is bonded to twelve equivalent As+1.33- atoms to form a mixture of distorted corner and face-sharing SiAs12 cuboctahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Si–As bond lengths. As+1.33- is bonded in a 6-coordinate geometry to four equivalent Si4+ and two equivalent As+1.33- atoms. Both As–As bond lengths are 2.61 Å.},
doi = {10.17188/1315969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}