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Title: Materials Data on V2Ni2PbO8 by Materials Project

Abstract

PbNi2V2O8 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.04–2.14 Å. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–3.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Ni2+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Ni2+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Ni2+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Ni2+,more » and two equivalent Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1207918
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; V2Ni2PbO8; Ni-O-Pb-V
OSTI Identifier:
1731887
DOI:
https://doi.org/10.17188/1731887

Citation Formats

The Materials Project. Materials Data on V2Ni2PbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731887.
The Materials Project. Materials Data on V2Ni2PbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1731887
The Materials Project. 2020. "Materials Data on V2Ni2PbO8 by Materials Project". United States. doi:https://doi.org/10.17188/1731887. https://www.osti.gov/servlets/purl/1731887. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1731887,
title = {Materials Data on V2Ni2PbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {PbNi2V2O8 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.04–2.14 Å. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–3.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Ni2+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Ni2+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Ni2+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Ni2+, and two equivalent Pb2+ atoms.},
doi = {10.17188/1731887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}