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Title: Materials Data on CeMn10Cu by Materials Project

Abstract

CeMn10Cu crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eighteen Mn and two equivalent Cu atoms. There are a spread of Ce–Mn bond distances ranging from 3.02–3.31 Å. Both Ce–Cu bond lengths are 3.19 Å. There are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted single-bond geometry to two equivalent Ce, twelve Mn, and one Cu atom. There are a spread of Mn–Mn bond distances ranging from 2.63–2.80 Å. The Mn–Cu bond length is 2.65 Å. In the second Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent Ce, eleven Mn, and two equivalent Cu atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–2.78 Å. Both Mn–Cu bond lengths are 2.71 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, nine Mn, and one Cu atom. There are a spread of Mn–Mn bond distances ranging from 2.39–2.73 Å. The Mn–Cu bond length is 2.59 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, nine Mn, and one Cu atom. Theremore » are a spread of Mn–Mn bond distances ranging from 2.35–2.52 Å. The Mn–Cu bond length is 2.53 Å. In the fifth Mn site, Mn is bonded to two equivalent Ce and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnCe2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.18–2.56 Å. In the sixth Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent Ce, eight Mn, and two equivalent Cu atoms. The Mn–Mn bond length is 2.36 Å. There are one shorter (2.31 Å) and one longer (2.43 Å) Mn–Cu bond lengths. In the seventh Mn site, Mn is bonded to two equivalent Ce and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnCe2Mn10 cuboctahedra. The Mn–Mn bond length is 2.41 Å. In the eighth Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share edges with two equivalent MnMn12 cuboctahedra and faces with eight MnCe2Mn10 cuboctahedra. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to ten Mn and two equivalent Cu atoms. Both Mn–Cu bond lengths are 2.46 Å. Cu is bonded in a 12-coordinate geometry to two equivalent Ce and ten Mn atoms.« less

Publication Date:
Other Number(s):
mp-1226752
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; CeMn10Cu; Ce-Cu-Mn
OSTI Identifier:
1707460
DOI:
https://doi.org/10.17188/1707460

Citation Formats

The Materials Project. Materials Data on CeMn10Cu by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707460.
The Materials Project. Materials Data on CeMn10Cu by Materials Project. United States. doi:https://doi.org/10.17188/1707460
The Materials Project. 2019. "Materials Data on CeMn10Cu by Materials Project". United States. doi:https://doi.org/10.17188/1707460. https://www.osti.gov/servlets/purl/1707460. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1707460,
title = {Materials Data on CeMn10Cu by Materials Project},
author = {The Materials Project},
abstractNote = {CeMn10Cu crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eighteen Mn and two equivalent Cu atoms. There are a spread of Ce–Mn bond distances ranging from 3.02–3.31 Å. Both Ce–Cu bond lengths are 3.19 Å. There are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted single-bond geometry to two equivalent Ce, twelve Mn, and one Cu atom. There are a spread of Mn–Mn bond distances ranging from 2.63–2.80 Å. The Mn–Cu bond length is 2.65 Å. In the second Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent Ce, eleven Mn, and two equivalent Cu atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–2.78 Å. Both Mn–Cu bond lengths are 2.71 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, nine Mn, and one Cu atom. There are a spread of Mn–Mn bond distances ranging from 2.39–2.73 Å. The Mn–Cu bond length is 2.59 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, nine Mn, and one Cu atom. There are a spread of Mn–Mn bond distances ranging from 2.35–2.52 Å. The Mn–Cu bond length is 2.53 Å. In the fifth Mn site, Mn is bonded to two equivalent Ce and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnCe2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.18–2.56 Å. In the sixth Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent Ce, eight Mn, and two equivalent Cu atoms. The Mn–Mn bond length is 2.36 Å. There are one shorter (2.31 Å) and one longer (2.43 Å) Mn–Cu bond lengths. In the seventh Mn site, Mn is bonded to two equivalent Ce and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnCe2Mn10 cuboctahedra. The Mn–Mn bond length is 2.41 Å. In the eighth Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share edges with two equivalent MnMn12 cuboctahedra and faces with eight MnCe2Mn10 cuboctahedra. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to ten Mn and two equivalent Cu atoms. Both Mn–Cu bond lengths are 2.46 Å. Cu is bonded in a 12-coordinate geometry to two equivalent Ce and ten Mn atoms.},
doi = {10.17188/1707460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}