U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeMg5 by Materials Project
Abstract
Mg5Ce crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ce atoms. There are four shorter (3.26 Å) and four longer (3.27 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.37 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with nine equivalent MgCe3Mg9 cuboctahedra, corners with nine equivalent CeMg12 cuboctahedra, edges with six equivalent MgCe3Mg9 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, and faces with five equivalent MgCe3Mg9 cuboctahedra. All Mg–Mg bond lengths are 3.35 Å. All Mg–Ce bond lengths are 3.35 Å. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with eighteen equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with six equivalent MgCe3Mg9 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1038949
- 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-Mg; CeMg5; crystal structure
- OSTI Identifier:
- 1757604
- DOI:
- https://doi.org/10.17188/1757604
Citation Formats
Materials Data on CeMg5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1757604.
Materials Data on CeMg5 by Materials Project. United States. doi:https://doi.org/10.17188/1757604
2020.
"Materials Data on CeMg5 by Materials Project". United States. doi:https://doi.org/10.17188/1757604. https://www.osti.gov/servlets/purl/1757604. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757604,
title = {Materials Data on CeMg5 by Materials Project},
abstractNote = {Mg5Ce crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ce atoms. There are four shorter (3.26 Å) and four longer (3.27 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.37 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with nine equivalent MgCe3Mg9 cuboctahedra, corners with nine equivalent CeMg12 cuboctahedra, edges with six equivalent MgCe3Mg9 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, and faces with five equivalent MgCe3Mg9 cuboctahedra. All Mg–Mg bond lengths are 3.35 Å. All Mg–Ce bond lengths are 3.35 Å. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with eighteen equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with six equivalent MgCe3Mg9 cuboctahedra.},
doi = {10.17188/1757604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}