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Title: Materials Data on ReNi(PbO3)2 by Materials Project

Abstract

ReNi(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.94 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.08 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ReO6 octahedra, and faces with four equivalent NiO6 octahedra. All Pb–O bond lengths are 2.84 Å. O2- is bonded in a distorted linear geometry to one Re6+, one Ni2+, and four equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-1205510
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; ReNi(PbO3)2; Ni-O-Pb-Re
OSTI Identifier:
1678512
DOI:
https://doi.org/10.17188/1678512

Citation Formats

The Materials Project. Materials Data on ReNi(PbO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678512.
The Materials Project. Materials Data on ReNi(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678512
The Materials Project. 2020. "Materials Data on ReNi(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678512. https://www.osti.gov/servlets/purl/1678512. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1678512,
title = {Materials Data on ReNi(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReNi(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.94 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.08 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ReO6 octahedra, and faces with four equivalent NiO6 octahedra. All Pb–O bond lengths are 2.84 Å. O2- is bonded in a distorted linear geometry to one Re6+, one Ni2+, and four equivalent Pb2+ atoms.},
doi = {10.17188/1678512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}