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Title: Materials Data on W2Cl4O7 by Materials Project

Abstract

(WO3Cl2)4O2 crystallizes in the orthorhombic Ccce space group. The structure is zero-dimensional and consists of eight water molecules and four WO3Cl2 clusters. In each WO3Cl2 cluster, W is bonded in a 6-coordinate geometry to four O and two Cl atoms. There are a spread of W–O bond distances ranging from 1.73–2.15 Å. There are one shorter (2.37 Å) and one longer (2.43 Å) W–Cl bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent W atoms. In the second O site, O is bonded in a linear geometry to two equivalent W atoms. In the third O site, O is bonded in a single-bond geometry to one W atom. In the fourth O site, O is bonded in a single-bond geometry to one W atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one W atom. In the second Cl site, Cl is bonded in a single-bond geometry to one W atom.

Authors:
Publication Date:
Other Number(s):
mp-1197161
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; W2Cl4O7; Cl-O-W
OSTI Identifier:
1738033
DOI:
https://doi.org/10.17188/1738033

Citation Formats

The Materials Project. Materials Data on W2Cl4O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738033.
The Materials Project. Materials Data on W2Cl4O7 by Materials Project. United States. doi:https://doi.org/10.17188/1738033
The Materials Project. 2020. "Materials Data on W2Cl4O7 by Materials Project". United States. doi:https://doi.org/10.17188/1738033. https://www.osti.gov/servlets/purl/1738033. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738033,
title = {Materials Data on W2Cl4O7 by Materials Project},
author = {The Materials Project},
abstractNote = {(WO3Cl2)4O2 crystallizes in the orthorhombic Ccce space group. The structure is zero-dimensional and consists of eight water molecules and four WO3Cl2 clusters. In each WO3Cl2 cluster, W is bonded in a 6-coordinate geometry to four O and two Cl atoms. There are a spread of W–O bond distances ranging from 1.73–2.15 Å. There are one shorter (2.37 Å) and one longer (2.43 Å) W–Cl bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent W atoms. In the second O site, O is bonded in a linear geometry to two equivalent W atoms. In the third O site, O is bonded in a single-bond geometry to one W atom. In the fourth O site, O is bonded in a single-bond geometry to one W atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one W atom. In the second Cl site, Cl is bonded in a single-bond geometry to one W atom.},
doi = {10.17188/1738033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}