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Title: Materials Data on ThV2PbO8 by Materials Project

Abstract

ThV2PbO8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.47 Å) Th–O bond lengths. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.76 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.75 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. All Pb–O bond lengths are 2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+, one V5+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one V5+, and one Pb2+ atom.

Publication Date:
Other Number(s):
mp-1217362
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; ThV2PbO8; O-Pb-Th-V
OSTI Identifier:
1749529
DOI:
https://doi.org/10.17188/1749529

Citation Formats

The Materials Project. Materials Data on ThV2PbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749529.
The Materials Project. Materials Data on ThV2PbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1749529
The Materials Project. 2020. "Materials Data on ThV2PbO8 by Materials Project". United States. doi:https://doi.org/10.17188/1749529. https://www.osti.gov/servlets/purl/1749529. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749529,
title = {Materials Data on ThV2PbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {ThV2PbO8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.47 Å) Th–O bond lengths. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.76 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.75 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. All Pb–O bond lengths are 2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+, one V5+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one V5+, and one Pb2+ atom.},
doi = {10.17188/1749529},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}