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Title: Materials Data on ZnSiAsP by Materials Project

Abstract

ZnSiAsP crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded in a water-like geometry to two equivalent As3- atoms. Both Zn–As bond lengths are 2.45 Å. Si4- is bonded to two equivalent As3- and two equivalent P5+ atoms to form corner-sharing SiAs2P2 tetrahedra. Both Si–As bond lengths are 2.37 Å. Both Si–P bond lengths are 2.28 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Si4- atoms to form corner-sharing AsZn2Si2 tetrahedra. P5+ is bonded in a water-like geometry to two equivalent Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1215540
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; ZnSiAsP; As-P-Si-Zn
OSTI Identifier:
1680791
DOI:
https://doi.org/10.17188/1680791

Citation Formats

The Materials Project. Materials Data on ZnSiAsP by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680791.
The Materials Project. Materials Data on ZnSiAsP by Materials Project. United States. doi:https://doi.org/10.17188/1680791
The Materials Project. 2019. "Materials Data on ZnSiAsP by Materials Project". United States. doi:https://doi.org/10.17188/1680791. https://www.osti.gov/servlets/purl/1680791. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680791,
title = {Materials Data on ZnSiAsP by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSiAsP crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded in a water-like geometry to two equivalent As3- atoms. Both Zn–As bond lengths are 2.45 Å. Si4- is bonded to two equivalent As3- and two equivalent P5+ atoms to form corner-sharing SiAs2P2 tetrahedra. Both Si–As bond lengths are 2.37 Å. Both Si–P bond lengths are 2.28 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Si4- atoms to form corner-sharing AsZn2Si2 tetrahedra. P5+ is bonded in a water-like geometry to two equivalent Si4- atoms.},
doi = {10.17188/1680791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}