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Title: Materials Data on W21S8 by Materials Project

Abstract

W21S8 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two W21S8 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent W sites. In the first W site, W is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.54 Å) and two longer (2.57 Å) W–S bond lengths. In the second W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.46 Å) and one longer (2.53 Å) W–S bond lengths. In the third W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.40 Å) and one longer (2.45 Å) W–S bond lengths. In the fourth W site, W is bonded in a 1-coordinate geometry to one S atom. The W–S bond length is 2.62 Å. In the fifth W site, W is bonded in a 2-coordinate geometry to two equivalent S atoms. Both W–S bond lengths are 2.43 Å. In the sixth W site, W is bonded in a square co-planar geometry to four equivalent S atoms. All W–S bond lengths are 2.47 Å. There are two inequivalent S sites.more » In the first S site, S is bonded in a 7-coordinate geometry to seven W atoms. In the second S site, S is bonded in a 7-coordinate geometry to seven W atoms.« less

Publication Date:
Other Number(s):
mp-1207867
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; W21S8; S-W
OSTI Identifier:
1725137
DOI:
https://doi.org/10.17188/1725137

Citation Formats

The Materials Project. Materials Data on W21S8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1725137.
The Materials Project. Materials Data on W21S8 by Materials Project. United States. doi:https://doi.org/10.17188/1725137
The Materials Project. 2019. "Materials Data on W21S8 by Materials Project". United States. doi:https://doi.org/10.17188/1725137. https://www.osti.gov/servlets/purl/1725137. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1725137,
title = {Materials Data on W21S8 by Materials Project},
author = {The Materials Project},
abstractNote = {W21S8 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two W21S8 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent W sites. In the first W site, W is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.54 Å) and two longer (2.57 Å) W–S bond lengths. In the second W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.46 Å) and one longer (2.53 Å) W–S bond lengths. In the third W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.40 Å) and one longer (2.45 Å) W–S bond lengths. In the fourth W site, W is bonded in a 1-coordinate geometry to one S atom. The W–S bond length is 2.62 Å. In the fifth W site, W is bonded in a 2-coordinate geometry to two equivalent S atoms. Both W–S bond lengths are 2.43 Å. In the sixth W site, W is bonded in a square co-planar geometry to four equivalent S atoms. All W–S bond lengths are 2.47 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 7-coordinate geometry to seven W atoms. In the second S site, S is bonded in a 7-coordinate geometry to seven W atoms.},
doi = {10.17188/1725137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}