Materials Data on CeMg2 by Materials Project

doi:10.17188/1196875

Title: Materials Data on CeMg2 by Materials Project

Dataset
Other Related Research

Abstract

CeMg2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Ce atoms to form a mixture of corner, edge, and face-sharing MgCe6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Ce bond lengths are 3.58 Å. Ce is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Ce atoms. All Ce–Ce bond lengths are 3.73 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-21419

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; CeMg2; crystal structure

OSTI Identifier:: 1196875

DOI:: https://doi.org/10.17188/1196875

Citation Formats


                    Materials Data on CeMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196875.

Copy to clipboard


                    Materials Data on CeMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196875

Copy to clipboard


                    2020.  
"Materials Data on CeMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196875.  https://www.osti.gov/servlets/purl/1196875. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1196875,

  title        = {Materials Data on CeMg2 by Materials Project},

  
  abstractNote = {CeMg2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Ce atoms to form a mixture of corner, edge, and face-sharing MgCe6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Ce bond lengths are 3.58 Å. Ce is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Ce atoms. All Ce–Ce bond lengths are 3.73 Å.},

  doi          = {10.17188/1196875},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1196875

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on CeMg2 by Materials Project

Dataset

CeMg2 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with seven equivalent CeCe6Mg6 cuboctahedra, and faces with thirteen equivalent MgCe3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.27 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.45 Å. Ce is bonded to six equivalent Mgmore »« less
Materials Data on CeMg2 by Materials Project

Dataset

CeMg2 is Magnesium-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe4Mg8 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven equivalent CeCe4Mg8 cuboctahedra, edges with eleven MgCe6Mg6 cuboctahedra, faces with six equivalent CeCe4Mg8 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.21 Å. There are two shorter (3.34 Å) and four longer (3.43more »« less
Materials Data on CeMg2 by Materials Project

Dataset

CeMg2 is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two CeCe6Mg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.23 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ce atoms to formmore »« less
Materials Data on CeMg2 by Materials Project

Dataset

CeMg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Ce atoms to form MgCe5Mg7 cuboctahedra that share corners with six equivalent MgCe5Mg7 cuboctahedra, corners with six equivalent CeCe3Mg9 cuboctahedra, edges with five equivalent CeCe3Mg9 cuboctahedra, edges with six equivalent MgCe5Mg7 cuboctahedra, faces with five equivalent MgCe5Mg7 cuboctahedra, and faces with eight equivalent CeCe3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.18 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.66more »« less
Materials Data on CeMg2 by Materials Project

Dataset

CeMg2 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 to eight Mg and four equivalent Ce atoms to form MgCe4Mg8 cuboctahedra that share corners with eighteen equivalent MgCe4Mg8 cuboctahedra, edges with eight equivalent CeCe3Mg9 cuboctahedra, edges with ten MgCe4Mg8 cuboctahedra, faces with eight equivalent CeCe3Mg9 cuboctahedra, and faces with twelve MgCe4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.30–3.41 Å. All Mg–Ce bond lengths are 3.39 Å. In the second Mg site, Mg is bonded to six equivalent Mgmore »« less

Similar Records