U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1006277
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ce-Co-Ga; CeGa4Co9; crystal structure
- OSTI Identifier:
- 1316718
- DOI:
- https://doi.org/10.17188/1316718
Citation Formats
Materials Data on CeGa4Co9 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1316718.
Materials Data on CeGa4Co9 by Materials Project. United States. doi:https://doi.org/10.17188/1316718
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},
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}
}