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Title: Materials Data on Sn(WO3)3 by Materials Project

Abstract

SnW3O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. In the second W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.87–2.07 Å. In the third W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.93–2.05 Å. Sn4+ is bonded in a 4-coordinate geometry to two O2- atoms. Both Sn–O bond lengths are 2.24 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the third O2- site, O2- is bonded inmore » a bent 150 degrees geometry to two W+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W+4.67+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-761454
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; Sn(WO3)3; O-Sn-W
OSTI Identifier:
1291980
DOI:
https://doi.org/10.17188/1291980

Citation Formats

The Materials Project. Materials Data on Sn(WO3)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1291980.
The Materials Project. Materials Data on Sn(WO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1291980
The Materials Project. 2017. "Materials Data on Sn(WO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1291980. https://www.osti.gov/servlets/purl/1291980. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1291980,
title = {Materials Data on Sn(WO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {SnW3O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. In the second W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.87–2.07 Å. In the third W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.93–2.05 Å. Sn4+ is bonded in a 4-coordinate geometry to two O2- atoms. Both Sn–O bond lengths are 2.24 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W+4.67+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms.},
doi = {10.17188/1291980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}