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Title: Materials Data on K2SiAs2 by Materials Project

Abstract

K2SiAs2 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.44–3.58 Å. Si4+ is bonded to four equivalent As3- atoms to form distorted edge-sharing SiAs4 tetrahedra. All Si–As bond lengths are 2.41 Å. As3- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Si4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-6984
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; K2SiAs2; As-K-Si
OSTI Identifier:
1285343
DOI:
https://doi.org/10.17188/1285343

Citation Formats

The Materials Project. Materials Data on K2SiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285343.
The Materials Project. Materials Data on K2SiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1285343
The Materials Project. 2020. "Materials Data on K2SiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1285343. https://www.osti.gov/servlets/purl/1285343. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285343,
title = {Materials Data on K2SiAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SiAs2 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.44–3.58 Å. Si4+ is bonded to four equivalent As3- atoms to form distorted edge-sharing SiAs4 tetrahedra. All Si–As bond lengths are 2.41 Å. As3- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Si4+ atoms.},
doi = {10.17188/1285343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}