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Title: Materials Data on Tl4V2O7 by Materials Project

Abstract

V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.

Publication Date:
Other Number(s):
mp-541368
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; Tl4V2O7; O-Tl-V
OSTI Identifier:
1265075
DOI:
https://doi.org/10.17188/1265075

Citation Formats

The Materials Project. Materials Data on Tl4V2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1265075.
The Materials Project. Materials Data on Tl4V2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1265075
The Materials Project. 2020. "Materials Data on Tl4V2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1265075. https://www.osti.gov/servlets/purl/1265075. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1265075,
title = {Materials Data on Tl4V2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.},
doi = {10.17188/1265075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}