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Title: Materials Data on LiSbWO6 by Materials Project

Abstract

LiSbWO6 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.47–2.61 Å. 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 34–44°. There is two shorter (1.93 Å) and four longer (1.94 Å) W–O bond length. 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 42–50°. There is two shorter (1.99 Å) and four longer (2.00 Å) Sb–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one W6+, and one Sb5+more » atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-770703
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; LiSbWO6; Li-O-Sb-W
OSTI Identifier:
1300031
DOI:
10.17188/1300031

Citation Formats

The Materials Project. Materials Data on LiSbWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300031.
The Materials Project. Materials Data on LiSbWO6 by Materials Project. United States. doi:10.17188/1300031.
The Materials Project. 2020. "Materials Data on LiSbWO6 by Materials Project". United States. doi:10.17188/1300031. https://www.osti.gov/servlets/purl/1300031. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1300031,
title = {Materials Data on LiSbWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSbWO6 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.47–2.61 Å. 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 34–44°. There is two shorter (1.93 Å) and four longer (1.94 Å) W–O bond length. 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 42–50°. There is two shorter (1.99 Å) and four longer (2.00 Å) Sb–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one W6+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Sb5+ atom.},
doi = {10.17188/1300031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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