DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

Pb2MnReO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°. There are a spread of Re–O bond distances ranging from 1.93–1.96 Å. In the second Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–20°. There are a spread of Re–O bond distances ranging from 1.88–1.97 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.13 Å) and four longer (2.20 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six ReO6 octahedra. The corner-sharing octahedra tilt angles range from 8–27°. There are a spread of Mn–O bond distances ranging from 2.16–2.25 Å. There aremore » two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.18 Å. In the second Pb2+ site, Pb2+ is bonded in a 12-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–2.88 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and four Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and four Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Re6+, one Mn2+, and four Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and three Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193019
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; MnRe(PbO3)2; Mn-O-Pb-Re
OSTI Identifier:
1749394
DOI:
https://doi.org/10.17188/1749394

Citation Formats

The Materials Project. Materials Data on MnRe(PbO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749394.
The Materials Project. Materials Data on MnRe(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749394
The Materials Project. 2020. "Materials Data on MnRe(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749394. https://www.osti.gov/servlets/purl/1749394. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1749394,
title = {Materials Data on MnRe(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2MnReO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°. There are a spread of Re–O bond distances ranging from 1.93–1.96 Å. In the second Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–20°. There are a spread of Re–O bond distances ranging from 1.88–1.97 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.13 Å) and four longer (2.20 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six ReO6 octahedra. The corner-sharing octahedra tilt angles range from 8–27°. There are a spread of Mn–O bond distances ranging from 2.16–2.25 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.18 Å. In the second Pb2+ site, Pb2+ is bonded in a 12-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–2.88 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and four Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and four Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Re6+, one Mn2+, and four Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and two equivalent Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Re6+, one Mn2+, and three Pb2+ atoms.},
doi = {10.17188/1749394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}