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

Abstract

Pb2MnReO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There is four shorter (1.91 Å) and two longer (1.95 Å) Re–O bond length. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are two shorter (1.96 Å) and four longer (2.10 Å) Mn–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.59 Å) and two longer (2.74 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.61 Å) and two longer (2.64 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalentmore » Re6+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Re6+, one Mn2+, and two Pb2+ atoms.« less

Publication Date:
Other Number(s):
mp-1221845
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; MnRe(PbO3)2; Mn-O-Pb-Re
OSTI Identifier:
1749788
DOI:
https://doi.org/10.17188/1749788

Citation Formats

The Materials Project. Materials Data on MnRe(PbO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749788.
The Materials Project. Materials Data on MnRe(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749788
The Materials Project. 2020. "Materials Data on MnRe(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749788. https://www.osti.gov/servlets/purl/1749788. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1749788,
title = {Materials Data on MnRe(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2MnReO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There is four shorter (1.91 Å) and two longer (1.95 Å) Re–O bond length. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are two shorter (1.96 Å) and four longer (2.10 Å) Mn–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.59 Å) and two longer (2.74 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.61 Å) and two longer (2.64 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Re6+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Re6+, one Mn2+, and two Pb2+ atoms.},
doi = {10.17188/1749788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}