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Title: Materials Data on Si3W5 by Materials Project

Abstract

W5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent W+2.40+ sites. In the first W+2.40+ site, W+2.40+ is bonded to six Si4- atoms to form distorted WSi6 pentagonal pyramids that share corners with fifteen equivalent WSi6 pentagonal pyramids, corners with four equivalent WSi4 tetrahedra, edges with three equivalent WSi6 pentagonal pyramids, edges with two equivalent WSi4 tetrahedra, and faces with seven equivalent WSi6 pentagonal pyramids. There are a spread of W–Si bond distances ranging from 2.54–2.85 Å. In the second W+2.40+ site, W+2.40+ is bonded to four equivalent Si4- atoms to form WSi4 tetrahedra that share corners with sixteen equivalent WSi6 pentagonal pyramids, edges with eight equivalent WSi6 pentagonal pyramids, and edges with two equivalent WSi4 tetrahedra. All W–Si bond lengths are 2.62 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent W+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.50 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten W+2.40+ atoms.

Publication Date:
Other Number(s):
mp-31219
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; Si3W5; Si-W
OSTI Identifier:
1205515
DOI:
10.17188/1205515

Citation Formats

The Materials Project. Materials Data on Si3W5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1205515.
The Materials Project. Materials Data on Si3W5 by Materials Project. United States. doi:10.17188/1205515.
The Materials Project. 2017. "Materials Data on Si3W5 by Materials Project". United States. doi:10.17188/1205515. https://www.osti.gov/servlets/purl/1205515. Pub date:Fri May 12 00:00:00 EDT 2017
@article{osti_1205515,
title = {Materials Data on Si3W5 by Materials Project},
author = {The Materials Project},
abstractNote = {W5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent W+2.40+ sites. In the first W+2.40+ site, W+2.40+ is bonded to six Si4- atoms to form distorted WSi6 pentagonal pyramids that share corners with fifteen equivalent WSi6 pentagonal pyramids, corners with four equivalent WSi4 tetrahedra, edges with three equivalent WSi6 pentagonal pyramids, edges with two equivalent WSi4 tetrahedra, and faces with seven equivalent WSi6 pentagonal pyramids. There are a spread of W–Si bond distances ranging from 2.54–2.85 Å. In the second W+2.40+ site, W+2.40+ is bonded to four equivalent Si4- atoms to form WSi4 tetrahedra that share corners with sixteen equivalent WSi6 pentagonal pyramids, edges with eight equivalent WSi6 pentagonal pyramids, and edges with two equivalent WSi4 tetrahedra. All W–Si bond lengths are 2.62 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent W+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.50 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten W+2.40+ atoms.},
doi = {10.17188/1205515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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