DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sb(WO3)5 by Materials Project

Abstract

Sb(WO3)5 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are three inequivalent W+5.40+ sites. In the first W+5.40+ site, W+5.40+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–43°. There are a spread of W–O bond distances ranging from 1.91–2.11 Å. In the second W+5.40+ site, W+5.40+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. There are a spread of W–O bond distances ranging from 1.92–2.03 Å. In the third W+5.40+ site, W+5.40+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. There are a spread of W–O bond distances ranging from 1.85–2.09 Å. Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.11 Å) and two longer (2.75 Å) Sb–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.40+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.40+ and one Sb3+ atom. In themore » third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.40+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two W+5.40+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.40+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.40+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W+5.40+ and one Sb3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219461
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; Sb(WO3)5; O-Sb-W
OSTI Identifier:
1680866
DOI:
https://doi.org/10.17188/1680866

Citation Formats

The Materials Project. Materials Data on Sb(WO3)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680866.
The Materials Project. Materials Data on Sb(WO3)5 by Materials Project. United States. doi:https://doi.org/10.17188/1680866
The Materials Project. 2020. "Materials Data on Sb(WO3)5 by Materials Project". United States. doi:https://doi.org/10.17188/1680866. https://www.osti.gov/servlets/purl/1680866. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680866,
title = {Materials Data on Sb(WO3)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb(WO3)5 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are three inequivalent W+5.40+ sites. In the first W+5.40+ site, W+5.40+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–43°. There are a spread of W–O bond distances ranging from 1.91–2.11 Å. In the second W+5.40+ site, W+5.40+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. There are a spread of W–O bond distances ranging from 1.92–2.03 Å. In the third W+5.40+ site, W+5.40+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. There are a spread of W–O bond distances ranging from 1.85–2.09 Å. Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.11 Å) and two longer (2.75 Å) Sb–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.40+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.40+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.40+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two W+5.40+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.40+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.40+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W+5.40+ and one Sb3+ atom.},
doi = {10.17188/1680866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}