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Title: Materials Data on CeMn5Co7 by Materials Project

Abstract

CeCo7Mn5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to ten Mn and ten Co atoms. There are two shorter (3.02 Å) and eight longer (3.17 Å) Ce–Mn bond lengths. There are a spread of Ce–Co bond distances ranging from 2.97–3.03 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, three Mn, and seven Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.29–2.37 Å. There are a spread of Mn–Co bond distances ranging from 2.39–2.56 Å. In the second Mn site, Mn is bonded to two equivalent Ce, four equivalent Mn, and six Co atoms to form distorted edge-sharing MnCe2Mn4Co6 cuboctahedra. There are a spread of Mn–Co bond distances ranging from 2.53–2.70 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Ce, four equivalent Mn, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.84 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Ce, six Mn, and sevenmore » Co atoms. There are two shorter (2.57 Å) and four longer (2.85 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 10-coordinate geometry to one Ce, five Mn, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Mn, and six Co atoms. Both Co–Co bond lengths are 2.69 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, five Mn, and five Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226606
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; CeMn5Co7; Ce-Co-Mn
OSTI Identifier:
1666856
DOI:
https://doi.org/10.17188/1666856

Citation Formats

The Materials Project. Materials Data on CeMn5Co7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666856.
The Materials Project. Materials Data on CeMn5Co7 by Materials Project. United States. doi:https://doi.org/10.17188/1666856
The Materials Project. 2019. "Materials Data on CeMn5Co7 by Materials Project". United States. doi:https://doi.org/10.17188/1666856. https://www.osti.gov/servlets/purl/1666856. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1666856,
title = {Materials Data on CeMn5Co7 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCo7Mn5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to ten Mn and ten Co atoms. There are two shorter (3.02 Å) and eight longer (3.17 Å) Ce–Mn bond lengths. There are a spread of Ce–Co bond distances ranging from 2.97–3.03 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, three Mn, and seven Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.29–2.37 Å. There are a spread of Mn–Co bond distances ranging from 2.39–2.56 Å. In the second Mn site, Mn is bonded to two equivalent Ce, four equivalent Mn, and six Co atoms to form distorted edge-sharing MnCe2Mn4Co6 cuboctahedra. There are a spread of Mn–Co bond distances ranging from 2.53–2.70 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Ce, four equivalent Mn, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.84 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Ce, six Mn, and seven Co atoms. There are two shorter (2.57 Å) and four longer (2.85 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 10-coordinate geometry to one Ce, five Mn, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Mn, and six Co atoms. Both Co–Co bond lengths are 2.69 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, five Mn, and five Co atoms.},
doi = {10.17188/1666856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}