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Title: Materials Data on TlSbWO6 by Materials Project

Abstract

WTlSbO6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of W–O bond distances ranging from 1.92–1.98 Å. Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.89 Å) and two longer (2.95 Å) Tl–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–47°. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W6+ and one Sb5+ atom. In the fourth O2-more » site, O2- is bonded in a 2-coordinate geometry to one W6+, one Tl1+, and one Sb5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1216623
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; TlSbWO6; O-Sb-Tl-W
OSTI Identifier:
1681521
DOI:
https://doi.org/10.17188/1681521

Citation Formats

The Materials Project. Materials Data on TlSbWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681521.
The Materials Project. Materials Data on TlSbWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1681521
The Materials Project. 2020. "Materials Data on TlSbWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1681521. https://www.osti.gov/servlets/purl/1681521. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1681521,
title = {Materials Data on TlSbWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {WTlSbO6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of W–O bond distances ranging from 1.92–1.98 Å. Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.89 Å) and two longer (2.95 Å) Tl–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–47°. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W6+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+, one Tl1+, and one Sb5+ atom.},
doi = {10.17188/1681521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}