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Title: Materials Data on VZnPbO5 by Materials Project

Abstract

VZnPbO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–60°. There are a spread of V–O bond distances ranging from 1.69–1.80 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.22 Å. Pb4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V4+, two equivalent Zn2+, and one Pb4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ and one Pb4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V4+, one Zn2+, and two equivalent Pb4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V4+, one Zn2+, and twomore » equivalent Pb4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn2+ and one Pb4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1200304
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; VZnPbO5; O-Pb-V-Zn
OSTI Identifier:
1711965
DOI:
https://doi.org/10.17188/1711965

Citation Formats

The Materials Project. Materials Data on VZnPbO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711965.
The Materials Project. Materials Data on VZnPbO5 by Materials Project. United States. doi:https://doi.org/10.17188/1711965
The Materials Project. 2019. "Materials Data on VZnPbO5 by Materials Project". United States. doi:https://doi.org/10.17188/1711965. https://www.osti.gov/servlets/purl/1711965. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711965,
title = {Materials Data on VZnPbO5 by Materials Project},
author = {The Materials Project},
abstractNote = {VZnPbO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–60°. There are a spread of V–O bond distances ranging from 1.69–1.80 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.22 Å. Pb4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V4+, two equivalent Zn2+, and one Pb4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ and one Pb4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V4+, one Zn2+, and two equivalent Pb4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V4+, one Zn2+, and two equivalent Pb4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn2+ and one Pb4+ atom.},
doi = {10.17188/1711965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}