Materials Data on CeMg3 by Materials Project

doi:10.17188/1689119

Title: Materials Data on CeMg3 by Materials Project

Dataset
Other Related Research

Abstract

Mg3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc 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 distorted MgCe4Mg8 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe4Mg8 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.47 Å. There are two shorter (3.28 Å) and two longer (3.41 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form distorted MgCe4Mg8 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe4Mg8 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. There are two shorter (3.28 Å) and two longer (3.41 Å) Mg–Ce bond lengths. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with sixmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1094760

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; CeMg3; Ce-Mg

OSTI Identifier:: 1689119

DOI:: https://doi.org/10.17188/1689119

Citation Formats


                    The Materials Project. Materials Data on CeMg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689119.

Copy to clipboard


                    The Materials Project. Materials Data on CeMg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689119

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CeMg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689119.  https://www.osti.gov/servlets/purl/1689119. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1689119,

  title        = {Materials Data on CeMg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc 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 distorted MgCe4Mg8 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe4Mg8 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.47 Å. There are two shorter (3.28 Å) and two longer (3.41 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form distorted MgCe4Mg8 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe4Mg8 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. There are two shorter (3.28 Å) and two longer (3.41 Å) Mg–Ce bond lengths. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve MgCe4Mg8 cuboctahedra, edges with eighteen MgCe4Mg8 cuboctahedra, faces with eight equivalent CeMg12 cuboctahedra, and faces with twelve MgCe4Mg8 cuboctahedra.},

  doi          = {10.17188/1689119},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1689119

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CeMg3 by Materials Project

Dataset The Materials Project

Mg3Ce is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ce atoms. All Mg–Mg bond lengths are 3.20 Å. All Mg–Ce bond lengths are 3.20 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ce atoms. All Mg–Ce bond lengths are 3.69 Å. Ce is bonded in a distorted body-centered cubic geometry to fourteen Mgmore » atoms.« less
Materials Data on CeMg3 by Materials Project

Dataset The Materials Project

Mg3Ce crystallizes in the orthorhombic Imm2 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 six Mg and four equivalent Ce atoms. There are two shorter (3.18 Å) and four longer (3.37 Å) Mg–Mg bond lengths. There are two shorter (3.38 Å) and two longer (3.42 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and three equivalent Ce atoms. There are two shorter (3.18 Å) and four longer (3.40 Å) Mg–Mg bond lengths.more »« less
Materials Data on CeMg3 by Materials Project

Dataset The Materials Project

Mg3Ce is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two 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 equivalent CeCe6Mg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent CeCe6Mg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.17 Å) and six longer (3.20 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ce atomsmore »« less
Materials Data on CeMg3 by Materials Project

Dataset The Materials Project

Mg3Ce is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Ce atoms to form MgCe4Mg8 cuboctahedra that share corners with twelve equivalent MgCe4Mg8 cuboctahedra, edges with eight equivalent CeMg12 cuboctahedra, edges with sixteen equivalent MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with fourteen equivalent MgCe4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.38 Å. All Mg–Ce bond lengths are 3.38 Å. Ce is bonded to twelve equivalent Mg atoms to form CeMg12 cuboctahedra that share corners with twelve equivalent CeMg12 cuboctahedra,more »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less

Similar Records