Materials Data on V2Cu3Pb(ClO4)2 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1280087· OSTI ID:1280087

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1280087
• Report Number(s): mp-642157
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cl-Cu-O-Pb-V
V2Cu3Pb(ClO4)2
crystal structure