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Title: Materials Data on CeGaGe by Materials Project

Abstract

CeGeGa is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. In the second Ce site, Ce is bonded to six Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. In the third Ce site, Ce is bonded to six Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. There are one shorter (2.45 Å) and twomore » longer (2.46 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. Both Ga–Ce bond lengths are 3.24 Å. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. All Ga–Ce bond lengths are 3.25 Å. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. Ge is bonded in a 3-coordinate geometry to six Ce and three Ga atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1025144
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; CeGaGe; Ce-Ga-Ge
OSTI Identifier:
1355475
DOI:
https://doi.org/10.17188/1355475

Citation Formats

The Materials Project. Materials Data on CeGaGe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355475.
The Materials Project. Materials Data on CeGaGe by Materials Project. United States. doi:https://doi.org/10.17188/1355475
The Materials Project. 2020. "Materials Data on CeGaGe by Materials Project". United States. doi:https://doi.org/10.17188/1355475. https://www.osti.gov/servlets/purl/1355475. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355475,
title = {Materials Data on CeGaGe by Materials Project},
author = {The Materials Project},
abstractNote = {CeGeGa is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. In the second Ce site, Ce is bonded to six Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. In the third Ce site, Ce is bonded to six Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. Both Ga–Ce bond lengths are 3.24 Å. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. All Ga–Ce bond lengths are 3.25 Å. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. Ge is bonded in a 3-coordinate geometry to six Ce and three Ga atoms.},
doi = {10.17188/1355475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}