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Title: Materials Data on V2Cu3Pb(ClO4)2 by Materials Project

Abstract

V2Cu3Pb(O4Cl)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.75 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.86 Å. In the second Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to two equivalent O2- and one Cl1- atom. Both Cu–O bond lengths are 1.90 Å. The Cu–Cl bond length is 2.23 Å. Pb2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.66 Å. All Pb–Cl bond lengths are 3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Cu2+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu2+ atom. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ and two equivalent Pb2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642157
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; V2Cu3Pb(ClO4)2; Cl-Cu-O-Pb-V
OSTI Identifier:
1280087
DOI:
10.17188/1280087

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on V2Cu3Pb(ClO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280087.
Persson, Kristin, & Project, Materials. Materials Data on V2Cu3Pb(ClO4)2 by Materials Project. United States. doi:10.17188/1280087.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on V2Cu3Pb(ClO4)2 by Materials Project". United States. doi:10.17188/1280087. https://www.osti.gov/servlets/purl/1280087. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280087,
title = {Materials Data on V2Cu3Pb(ClO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V2Cu3Pb(O4Cl)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.75 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.86 Å. In the second Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to two equivalent O2- and one Cl1- atom. Both Cu–O bond lengths are 1.90 Å. The Cu–Cl bond length is 2.23 Å. Pb2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.66 Å. All Pb–Cl bond lengths are 3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Cu2+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu2+ atom. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1280087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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