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Title: Materials Data on Mn2CrPb2O9 by Materials Project

Abstract

CrMn2Pb2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.64–1.70 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.88–2.00 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.23 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.98 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry tomore » one Cr5+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+4.50+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+4.50+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn+4.50+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn+4.50+ and two Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Mn+4.50+ and one Pb2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193329
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; Mn2CrPb2O9; Cr-Mn-O-Pb
OSTI Identifier:
1734148
DOI:
https://doi.org/10.17188/1734148

Citation Formats

The Materials Project. Materials Data on Mn2CrPb2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734148.
The Materials Project. Materials Data on Mn2CrPb2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1734148
The Materials Project. 2019. "Materials Data on Mn2CrPb2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1734148. https://www.osti.gov/servlets/purl/1734148. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1734148,
title = {Materials Data on Mn2CrPb2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {CrMn2Pb2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.64–1.70 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.88–2.00 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.23 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.98 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr5+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+4.50+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+4.50+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn+4.50+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn+4.50+ and two Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Mn+4.50+ and one Pb2+ atom.},
doi = {10.17188/1734148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}