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

Abstract

MgRe(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 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 Mg–O bond lengths are 2.08 Å. Re6+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent MgO6 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. 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 MgO6 octahedra, and faces with four equivalent ReO6 octahedra. All Pb–O bond lengths are 2.84 Å. O2- is bonded in a linear geometry to one Mg2+, one Re6+, and four equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-1205540
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; MgRe(PbO3)2; Mg-O-Pb-Re
OSTI Identifier:
1759546
DOI:
https://doi.org/10.17188/1759546

Citation Formats

The Materials Project. Materials Data on MgRe(PbO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759546.
The Materials Project. Materials Data on MgRe(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1759546
The Materials Project. 2020. "Materials Data on MgRe(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1759546. https://www.osti.gov/servlets/purl/1759546. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759546,
title = {Materials Data on MgRe(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgRe(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 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 Mg–O bond lengths are 2.08 Å. Re6+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent MgO6 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. 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 MgO6 octahedra, and faces with four equivalent ReO6 octahedra. All Pb–O bond lengths are 2.84 Å. O2- is bonded in a linear geometry to one Mg2+, one Re6+, and four equivalent Pb2+ atoms.},
doi = {10.17188/1759546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}