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Title: Materials Data on TlV2SbO8 by Materials Project

Abstract

V2TlSbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–38°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. Tl1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.80–3.37 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. There is one shorter (1.99 Å) and five longer (2.00 Å) Sb–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the second O2- site, O2- is bondedmore » in a single-bond geometry to one V5+ and two equivalent Tl1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Tl1+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Tl1+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-622278
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; TlV2SbO8; O-Sb-Tl-V
OSTI Identifier:
1278120
DOI:
10.17188/1278120

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TlV2SbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278120.
Persson, Kristin, & Project, Materials. Materials Data on TlV2SbO8 by Materials Project. United States. doi:10.17188/1278120.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TlV2SbO8 by Materials Project". United States. doi:10.17188/1278120. https://www.osti.gov/servlets/purl/1278120. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1278120,
title = {Materials Data on TlV2SbO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V2TlSbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–38°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. Tl1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.80–3.37 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. There is one shorter (1.99 Å) and five longer (2.00 Å) Sb–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ and two equivalent Tl1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Tl1+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Tl1+ atom.},
doi = {10.17188/1278120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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