U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2Mg by Materials Project
Abstract
MgCe2 is beta-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent CeCe8Mg4 cuboctahedra, corners with twelve MgCe8Mg4 cuboctahedra, edges with three equivalent MgCe8Mg4 cuboctahedra, edges with fifteen CeCe9Mg3 cuboctahedra, faces with five MgCe8Mg4 cuboctahedra, and faces with fifteen CeCe9Mg3 cuboctahedra. There are two shorter (3.07 Å) and two longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.35–3.63 Å. In the second Mg site, Mg is bonded to four Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent CeCe8Mg4 cuboctahedra, corners with twelve MgCe8Mg4 cuboctahedra, edges with three equivalent MgCe8Mg4 cuboctahedra, edges with fifteen CeCe9Mg3 cuboctahedra, faces with five MgCe8Mg4 cuboctahedra, and faces with fifteen CeCe9Mg3 cuboctahedra. Both Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–Ce bond distances ranging from 3.34–3.53 Å. There are four inequivalent Ce sites. In the first Ce site, Ce is bonded to three Mg and nine Ce atoms to form distorted CeCe9Mg3more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1038860
- 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; Ce2Mg; Ce-Mg
- OSTI Identifier:
- 1742040
- DOI:
- https://doi.org/10.17188/1742040
Citation Formats
The Materials Project. Materials Data on Ce2Mg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1742040.
The Materials Project. Materials Data on Ce2Mg by Materials Project. United States. doi:https://doi.org/10.17188/1742040
The Materials Project. 2020.
"Materials Data on Ce2Mg by Materials Project". United States. doi:https://doi.org/10.17188/1742040. https://www.osti.gov/servlets/purl/1742040. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1742040,
title = {Materials Data on Ce2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgCe2 is beta-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent CeCe8Mg4 cuboctahedra, corners with twelve MgCe8Mg4 cuboctahedra, edges with three equivalent MgCe8Mg4 cuboctahedra, edges with fifteen CeCe9Mg3 cuboctahedra, faces with five MgCe8Mg4 cuboctahedra, and faces with fifteen CeCe9Mg3 cuboctahedra. There are two shorter (3.07 Å) and two longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.35–3.63 Å. In the second Mg site, Mg is bonded to four Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent CeCe8Mg4 cuboctahedra, corners with twelve MgCe8Mg4 cuboctahedra, edges with three equivalent MgCe8Mg4 cuboctahedra, edges with fifteen CeCe9Mg3 cuboctahedra, faces with five MgCe8Mg4 cuboctahedra, and faces with fifteen CeCe9Mg3 cuboctahedra. Both Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–Ce bond distances ranging from 3.34–3.53 Å. There are four inequivalent Ce sites. In the first Ce site, Ce is bonded to three Mg and nine Ce atoms to form distorted CeCe9Mg3 cuboctahedra that share corners with eighteen CeCe9Mg3 cuboctahedra, edges with eight CeCe7Mg5 cuboctahedra, edges with ten MgCe8Mg4 cuboctahedra, faces with seven MgCe8Mg4 cuboctahedra, and faces with thirteen CeCe9Mg3 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.21–3.71 Å. In the second Ce site, Ce is bonded to five Mg and seven Ce atoms to form distorted CeCe7Mg5 cuboctahedra that share corners with eighteen CeCe9Mg3 cuboctahedra, edges with eight MgCe8Mg4 cuboctahedra, edges with ten CeCe9Mg3 cuboctahedra, faces with eight MgCe8Mg4 cuboctahedra, and faces with twelve CeCe9Mg3 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.10–3.60 Å. In the third Ce site, Ce is bonded to four Mg and eight Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with eighteen CeCe9Mg3 cuboctahedra, edges with six MgCe8Mg4 cuboctahedra, edges with twelve CeCe9Mg3 cuboctahedra, faces with nine MgCe8Mg4 cuboctahedra, and faces with eleven CeCe9Mg3 cuboctahedra. There are two shorter (3.12 Å) and two longer (3.21 Å) Ce–Ce bond lengths. In the fourth Ce site, Ce is bonded to four Mg and eight Ce atoms to form distorted CeCe8Mg4 cuboctahedra that share corners with six equivalent CeCe8Mg4 cuboctahedra, corners with twelve MgCe8Mg4 cuboctahedra, edges with six MgCe8Mg4 cuboctahedra, edges with twelve CeCe9Mg3 cuboctahedra, faces with six MgCe8Mg4 cuboctahedra, and faces with fourteen CeCe9Mg3 cuboctahedra. Both Ce–Ce bond lengths are 3.21 Å.},
doi = {10.17188/1742040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}