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Title: Materials Data on CeMg by Materials Project

Abstract

CeMg is Magnesium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe7Mg5 cuboctahedra, edges with nine MgCe7Mg5 cuboctahedra, edges with nine CeCe5Mg7 cuboctahedra, faces with eight MgCe6Mg6 cuboctahedra, and faces with twelve CeCe5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.17 Å. There are a spread of Mg–Ce bond distances ranging from 3.38–3.62 Å. In the second Mg site, Mg is bonded to five Mg and seven Ce atoms to form MgCe7Mg5 cuboctahedra that share corners with six equivalent MgCe7Mg5 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with eight CeCe5Mg7 cuboctahedra, edges with ten MgCe6Mg6 cuboctahedra, faces with nine MgCe6Mg6 cuboctahedra, and faces with eleven CeCe5Mg7 cuboctahedra. There are two shorter (3.17 Å) and one longer (3.20 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.45–3.55 Å. In the third Mg site, Mg is bonded to five Mg and seven Ce atoms to form MgCe7Mg5 cuboctahedra that share cornersmore » with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe7Mg5 cuboctahedra, edges with seven MgCe6Mg6 cuboctahedra, edges with eleven CeCe5Mg7 cuboctahedra, faces with nine MgCe6Mg6 cuboctahedra, and faces with eleven CeCe5Mg7 cuboctahedra. Both Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.54 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded to seven Mg and five Ce atoms to form CeCe5Mg7 cuboctahedra that share corners with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe7Mg5 cuboctahedra, edges with eight MgCe6Mg6 cuboctahedra, edges with ten CeCe6Mg6 cuboctahedra, faces with nine CeCe5Mg7 cuboctahedra, and faces with eleven MgCe6Mg6 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.00–3.31 Å. In the second Ce site, Ce is bonded to six Mg and six Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with six equivalent MgCe7Mg5 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with nine MgCe6Mg6 cuboctahedra, edges with nine CeCe5Mg7 cuboctahedra, faces with eight CeCe5Mg7 cuboctahedra, and faces with twelve MgCe6Mg6 cuboctahedra. There are two shorter (3.02 Å) and two longer (3.17 Å) Ce–Ce bond lengths. In the third Ce site, Ce is bonded to seven Mg and five Ce atoms to form CeCe5Mg7 cuboctahedra that share corners with six equivalent MgCe7Mg5 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with seven CeCe5Mg7 cuboctahedra, edges with eleven MgCe6Mg6 cuboctahedra, faces with nine CeCe5Mg7 cuboctahedra, and faces with eleven MgCe6Mg6 cuboctahedra. Both Ce–Ce bond lengths are 3.17 Å.« less

Publication Date:
Other Number(s):
mp-1039594
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CeMg; Ce-Mg
OSTI Identifier:
1749022
DOI:
https://doi.org/10.17188/1749022

Citation Formats

The Materials Project. Materials Data on CeMg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749022.
The Materials Project. Materials Data on CeMg by Materials Project. United States. doi:https://doi.org/10.17188/1749022
The Materials Project. 2020. "Materials Data on CeMg by Materials Project". United States. doi:https://doi.org/10.17188/1749022. https://www.osti.gov/servlets/purl/1749022. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749022,
title = {Materials Data on CeMg by Materials Project},
author = {The Materials Project},
abstractNote = {CeMg is Magnesium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe7Mg5 cuboctahedra, edges with nine MgCe7Mg5 cuboctahedra, edges with nine CeCe5Mg7 cuboctahedra, faces with eight MgCe6Mg6 cuboctahedra, and faces with twelve CeCe5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.17 Å. There are a spread of Mg–Ce bond distances ranging from 3.38–3.62 Å. In the second Mg site, Mg is bonded to five Mg and seven Ce atoms to form MgCe7Mg5 cuboctahedra that share corners with six equivalent MgCe7Mg5 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with eight CeCe5Mg7 cuboctahedra, edges with ten MgCe6Mg6 cuboctahedra, faces with nine MgCe6Mg6 cuboctahedra, and faces with eleven CeCe5Mg7 cuboctahedra. There are two shorter (3.17 Å) and one longer (3.20 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.45–3.55 Å. In the third Mg site, Mg is bonded to five Mg and seven Ce atoms to form MgCe7Mg5 cuboctahedra that share corners with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe7Mg5 cuboctahedra, edges with seven MgCe6Mg6 cuboctahedra, edges with eleven CeCe5Mg7 cuboctahedra, faces with nine MgCe6Mg6 cuboctahedra, and faces with eleven CeCe5Mg7 cuboctahedra. Both Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.54 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded to seven Mg and five Ce atoms to form CeCe5Mg7 cuboctahedra that share corners with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe7Mg5 cuboctahedra, edges with eight MgCe6Mg6 cuboctahedra, edges with ten CeCe6Mg6 cuboctahedra, faces with nine CeCe5Mg7 cuboctahedra, and faces with eleven MgCe6Mg6 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.00–3.31 Å. In the second Ce site, Ce is bonded to six Mg and six Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with six equivalent MgCe7Mg5 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with nine MgCe6Mg6 cuboctahedra, edges with nine CeCe5Mg7 cuboctahedra, faces with eight CeCe5Mg7 cuboctahedra, and faces with twelve MgCe6Mg6 cuboctahedra. There are two shorter (3.02 Å) and two longer (3.17 Å) Ce–Ce bond lengths. In the third Ce site, Ce is bonded to seven Mg and five Ce atoms to form CeCe5Mg7 cuboctahedra that share corners with six equivalent MgCe7Mg5 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with seven CeCe5Mg7 cuboctahedra, edges with eleven MgCe6Mg6 cuboctahedra, faces with nine CeCe5Mg7 cuboctahedra, and faces with eleven MgCe6Mg6 cuboctahedra. Both Ce–Ce bond lengths are 3.17 Å.},
doi = {10.17188/1749022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}