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Title: Materials Data on ZrSiW4 by Materials Project

Abstract

ZrW4Si is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent W and four equivalent Si atoms. All Zr–W bond lengths are 3.13 Å. All Zr–Si bond lengths are 3.27 Å. W is bonded to three equivalent Zr, six equivalent W, and three equivalent Si atoms to form a mixture of face, edge, and corner-sharing WZr3Si3W6 cuboctahedra. There are three shorter (2.65 Å) and three longer (2.68 Å) W–W bond lengths. All W–Si bond lengths are 3.13 Å. Si is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent W atoms.

Publication Date:
Other Number(s):
mp-1215210
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; ZrSiW4; Si-W-Zr
OSTI Identifier:
1751021
DOI:
https://doi.org/10.17188/1751021

Citation Formats

The Materials Project. Materials Data on ZrSiW4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751021.
The Materials Project. Materials Data on ZrSiW4 by Materials Project. United States. doi:https://doi.org/10.17188/1751021
The Materials Project. 2020. "Materials Data on ZrSiW4 by Materials Project". United States. doi:https://doi.org/10.17188/1751021. https://www.osti.gov/servlets/purl/1751021. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751021,
title = {Materials Data on ZrSiW4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrW4Si is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent W and four equivalent Si atoms. All Zr–W bond lengths are 3.13 Å. All Zr–Si bond lengths are 3.27 Å. W is bonded to three equivalent Zr, six equivalent W, and three equivalent Si atoms to form a mixture of face, edge, and corner-sharing WZr3Si3W6 cuboctahedra. There are three shorter (2.65 Å) and three longer (2.68 Å) W–W bond lengths. All W–Si bond lengths are 3.13 Å. Si is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent W atoms.},
doi = {10.17188/1751021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}