U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2NiGe3 by Materials Project
Abstract
Ce2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve equivalent Ge atoms to form CeGe12 cuboctahedra that share edges with twelve equivalent CeNi4Ge8 cuboctahedra and faces with eight CeGe12 cuboctahedra. All Ce–Ge bond lengths are 3.24 Å. In the second Ce site, Ce is bonded to four equivalent Ni and eight equivalent Ge atoms to form a mixture of edge and face-sharing CeNi4Ge8 cuboctahedra. All Ce–Ni bond lengths are 3.17 Å. There are four shorter (3.13 Å) and four longer (3.16 Å) Ce–Ge bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.31 Å. Ge is bonded in a 1-coordinate geometry to six Ce, one Ni, and two equivalent Ge atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Ge–Ge bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102475
- 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; Ce2NiGe3; Ce-Ge-Ni
- OSTI Identifier:
- 1718458
- DOI:
- https://doi.org/10.17188/1718458
Citation Formats
The Materials Project. Materials Data on Ce2NiGe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718458.
The Materials Project. Materials Data on Ce2NiGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1718458
The Materials Project. 2020.
"Materials Data on Ce2NiGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1718458. https://www.osti.gov/servlets/purl/1718458. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1718458,
title = {Materials Data on Ce2NiGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve equivalent Ge atoms to form CeGe12 cuboctahedra that share edges with twelve equivalent CeNi4Ge8 cuboctahedra and faces with eight CeGe12 cuboctahedra. All Ce–Ge bond lengths are 3.24 Å. In the second Ce site, Ce is bonded to four equivalent Ni and eight equivalent Ge atoms to form a mixture of edge and face-sharing CeNi4Ge8 cuboctahedra. All Ce–Ni bond lengths are 3.17 Å. There are four shorter (3.13 Å) and four longer (3.16 Å) Ce–Ge bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.31 Å. Ge is bonded in a 1-coordinate geometry to six Ce, one Ni, and two equivalent Ge atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Ge–Ge bond lengths.},
doi = {10.17188/1718458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}