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Title: Materials Data on VZnHPbO5 by Materials Project

Abstract

VZnPbHO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ 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 45–57°. There are a spread of V–O bond distances ranging from 1.70–1.78 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 two shorter (2.02 Å) and four longer (2.22 Å) Zn–O bond lengths. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.82 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+, one Pb2+, and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one V5+, two equivalent Zn2+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ and onemore » Pb2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+, one Zn2+, and two equivalent Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-745150
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; VZnHPbO5; H-O-Pb-V-Zn
OSTI Identifier:
1288402
DOI:
https://doi.org/10.17188/1288402

Citation Formats

The Materials Project. Materials Data on VZnHPbO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288402.
The Materials Project. Materials Data on VZnHPbO5 by Materials Project. United States. doi:https://doi.org/10.17188/1288402
The Materials Project. 2020. "Materials Data on VZnHPbO5 by Materials Project". United States. doi:https://doi.org/10.17188/1288402. https://www.osti.gov/servlets/purl/1288402. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1288402,
title = {Materials Data on VZnHPbO5 by Materials Project},
author = {The Materials Project},
abstractNote = {VZnPbHO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ 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 45–57°. There are a spread of V–O bond distances ranging from 1.70–1.78 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 two shorter (2.02 Å) and four longer (2.22 Å) Zn–O bond lengths. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.82 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+, one Pb2+, and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one V5+, two equivalent Zn2+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+, one Zn2+, and two equivalent Pb2+ atoms.},
doi = {10.17188/1288402},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}