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Title: Materials Data on Ce2Co7 by Materials Project

Abstract

Ce2Co7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ce–Co bond distances ranging from 2.83–3.18 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.82–3.25 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.44–2.85 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.41–2.51 Å. In the third Co site, Co is bonded to six equivalent Ce and six Co atoms to form CoCe6Co6 cuboctahedra that share corners with twelve CoCe5Co7 cuboctahedra, edges with six equivalent CoCe6Co6 cuboctahedra, and faces with eighteen CoCe5Co7 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.56 Å) Co–Co bond lengths. In the fourthmore » Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoCe5Co7 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.46 Å. In the fifth Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoCe5Co7 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. In the sixth Co site, Co is bonded to five Ce and seven Co atoms to form distorted CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.47 Å. In the seventh Co site, Co is bonded to five Ce and seven Co atoms to form distorted CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1196386
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; Ce2Co7; Ce-Co
OSTI Identifier:
1758673
DOI:
https://doi.org/10.17188/1758673

Citation Formats

The Materials Project. Materials Data on Ce2Co7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758673.
The Materials Project. Materials Data on Ce2Co7 by Materials Project. United States. doi:https://doi.org/10.17188/1758673
The Materials Project. 2020. "Materials Data on Ce2Co7 by Materials Project". United States. doi:https://doi.org/10.17188/1758673. https://www.osti.gov/servlets/purl/1758673. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758673,
title = {Materials Data on Ce2Co7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Co7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ce–Co bond distances ranging from 2.83–3.18 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.82–3.25 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.44–2.85 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.41–2.51 Å. In the third Co site, Co is bonded to six equivalent Ce and six Co atoms to form CoCe6Co6 cuboctahedra that share corners with twelve CoCe5Co7 cuboctahedra, edges with six equivalent CoCe6Co6 cuboctahedra, and faces with eighteen CoCe5Co7 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.56 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoCe5Co7 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.46 Å. In the fifth Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoCe5Co7 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. In the sixth Co site, Co is bonded to five Ce and seven Co atoms to form distorted CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.47 Å. In the seventh Co site, Co is bonded to five Ce and seven Co atoms to form distorted CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra.},
doi = {10.17188/1758673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}