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Title: Materials Data on Ce2Ga2Co15 by Materials Project

Abstract

Ce2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to fifteen Co and one Ga atom. There are a spread of Ce–Co bond distances ranging from 2.91–3.19 Å. The Ce–Ga bond length is 3.04 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to eight Co and two equivalent Ga atoms to form distorted CoGa2Co8 cuboctahedra that share corners with fourteen CoGa2Co8 cuboctahedra, edges with six CoGa2Co8 cuboctahedra, and faces with four equivalent CoCe3GaCo8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Ce, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.43–2.59 Å. Both Co–Ga bond lengths are 2.76 Å. In the third Co site, Co is bonded to three equivalent Ce, eight Co, and one Ga atom to form a mixture of edge, face, and corner-sharing CoCe3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. The Co–Ga bond length is 2.61 Å. Ga ismore » bonded in a 7-coordinate geometry to one Ce, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.60 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1106200
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; Ce2Ga2Co15; Ce-Co-Ga
OSTI Identifier:
1738590
DOI:
https://doi.org/10.17188/1738590

Citation Formats

The Materials Project. Materials Data on Ce2Ga2Co15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738590.
The Materials Project. Materials Data on Ce2Ga2Co15 by Materials Project. United States. doi:https://doi.org/10.17188/1738590
The Materials Project. 2020. "Materials Data on Ce2Ga2Co15 by Materials Project". United States. doi:https://doi.org/10.17188/1738590. https://www.osti.gov/servlets/purl/1738590. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1738590,
title = {Materials Data on Ce2Ga2Co15 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to fifteen Co and one Ga atom. There are a spread of Ce–Co bond distances ranging from 2.91–3.19 Å. The Ce–Ga bond length is 3.04 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to eight Co and two equivalent Ga atoms to form distorted CoGa2Co8 cuboctahedra that share corners with fourteen CoGa2Co8 cuboctahedra, edges with six CoGa2Co8 cuboctahedra, and faces with four equivalent CoCe3GaCo8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Ce, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.43–2.59 Å. Both Co–Ga bond lengths are 2.76 Å. In the third Co site, Co is bonded to three equivalent Ce, eight Co, and one Ga atom to form a mixture of edge, face, and corner-sharing CoCe3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. The Co–Ga bond length is 2.61 Å. Ga is bonded in a 7-coordinate geometry to one Ce, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.60 Å.},
doi = {10.17188/1738590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}