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Title: Materials Data on CeGa4Co9 by Materials Project

Abstract

CeCo9Ga4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Co and eight equivalent Ga atoms. There are eight shorter (3.32 Å) and eight longer (3.36 Å) Ce–Co bond lengths. All Ce–Ga bond lengths are 3.27 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, six Co, and four equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. There are two shorter (2.52 Å) and two longer (2.59 Å) Co–Ga bond lengths. In the second Co site, Co is bonded to eight Co and four equivalent Ga atoms to form a mixture of face and corner-sharing CoGa4Co8 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Ga bond lengths are 2.50 Å. In the third Co site, Co is bonded to two equivalent Ce, six Co, and four equivalent Ga atoms to form distorted CoCe2Ga4Co6 cuboctahedra that share corners with eight CoGa4Co8 cuboctahedra, edges with four equivalent CoCe2Ga4Co6 cuboctahedra, and faces with seven CoGa4Co8 cuboctahedra. There are two shorter (2.51 Å) and one longer (2.55 Å) Co–Co bond lengths.more » There are a spread of Co–Ga bond distances ranging from 2.39–2.47 Å. Ga is bonded in a 11-coordinate geometry to two equivalent Ce and nine Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1006277
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; CeGa4Co9; Ce-Co-Ga
OSTI Identifier:
1316718
DOI:
https://doi.org/10.17188/1316718

Citation Formats

The Materials Project. Materials Data on CeGa4Co9 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1316718.
The Materials Project. Materials Data on CeGa4Co9 by Materials Project. United States. doi:https://doi.org/10.17188/1316718
The Materials Project. 2017. "Materials Data on CeGa4Co9 by Materials Project". United States. doi:https://doi.org/10.17188/1316718. https://www.osti.gov/servlets/purl/1316718. Pub date:Fri Jun 23 00:00:00 EDT 2017
@article{osti_1316718,
title = {Materials Data on CeGa4Co9 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCo9Ga4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Co and eight equivalent Ga atoms. There are eight shorter (3.32 Å) and eight longer (3.36 Å) Ce–Co bond lengths. All Ce–Ga bond lengths are 3.27 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, six Co, and four equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. There are two shorter (2.52 Å) and two longer (2.59 Å) Co–Ga bond lengths. In the second Co site, Co is bonded to eight Co and four equivalent Ga atoms to form a mixture of face and corner-sharing CoGa4Co8 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Ga bond lengths are 2.50 Å. In the third Co site, Co is bonded to two equivalent Ce, six Co, and four equivalent Ga atoms to form distorted CoCe2Ga4Co6 cuboctahedra that share corners with eight CoGa4Co8 cuboctahedra, edges with four equivalent CoCe2Ga4Co6 cuboctahedra, and faces with seven CoGa4Co8 cuboctahedra. There are two shorter (2.51 Å) and one longer (2.55 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.39–2.47 Å. Ga is bonded in a 11-coordinate geometry to two equivalent Ce and nine Co atoms.},
doi = {10.17188/1316718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}