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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. There is two shorter (1.73 Å) and two longer (1.78 Å) V–O bond length. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.97 Å. Both Cu–Cl bond lengths are 3.06 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There is two shorter (1.94 Å) and two longer (1.99 Å) Cu–O bond length. There are one shorter (2.77 Å) and one longer (2.98 Å) Cu–Cl bond lengths. 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 3.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometrymore » to one V5+, one Cu2+, and one Pb2+ atom. Cl1- is bonded in a 1-coordinate geometry to three Cu2+ and two equivalent Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-972470
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; V2Cu3Pb(ClO4)2; Cl-Cu-O-Pb-V
OSTI Identifier:
1313845
DOI:
https://doi.org/10.17188/1313845

Citation Formats

The Materials Project. Materials Data on V2Cu3Pb(ClO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313845.
The Materials Project. Materials Data on V2Cu3Pb(ClO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1313845
The Materials Project. 2020. "Materials Data on V2Cu3Pb(ClO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1313845. https://www.osti.gov/servlets/purl/1313845. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1313845,
title = {Materials Data on V2Cu3Pb(ClO4)2 by Materials Project},
author = {The Materials Project},
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. There is two shorter (1.73 Å) and two longer (1.78 Å) V–O bond length. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.97 Å. Both Cu–Cl bond lengths are 3.06 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There is two shorter (1.94 Å) and two longer (1.99 Å) Cu–O bond length. There are one shorter (2.77 Å) and one longer (2.98 Å) Cu–Cl bond lengths. 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 3.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Cu2+, and one Pb2+ atom. Cl1- is bonded in a 1-coordinate geometry to three Cu2+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1313845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}