DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZrSiAs by Materials Project

Abstract

ZrSiAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are a spread of Zr–Si bond distances ranging from 2.79–2.87 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Zr2+, two equivalent Si4-, and two equivalent As2+ atoms. Both Si–Si bond lengths are 2.47 Å. Both Si–As bond lengths are 2.68 Å. As2+ is bonded in an L-shaped geometry to two equivalent Si4- atoms.

Publication Date:
Other Number(s):
mp-1207382
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; ZrSiAs; As-Si-Zr
OSTI Identifier:
1753889
DOI:
https://doi.org/10.17188/1753889

Citation Formats

The Materials Project. Materials Data on ZrSiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753889.
The Materials Project. Materials Data on ZrSiAs by Materials Project. United States. doi:https://doi.org/10.17188/1753889
The Materials Project. 2020. "Materials Data on ZrSiAs by Materials Project". United States. doi:https://doi.org/10.17188/1753889. https://www.osti.gov/servlets/purl/1753889. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1753889,
title = {Materials Data on ZrSiAs by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSiAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are a spread of Zr–Si bond distances ranging from 2.79–2.87 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Zr2+, two equivalent Si4-, and two equivalent As2+ atoms. Both Si–Si bond lengths are 2.47 Å. Both Si–As bond lengths are 2.68 Å. As2+ is bonded in an L-shaped geometry to two equivalent Si4- atoms.},
doi = {10.17188/1753889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}