Materials Data on Mg3Cd by Materials Project

doi:10.17188/1652997

Title: Materials Data on Mg3Cd by Materials Project

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Abstract

Mg3Cd 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 CdMg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent CdMg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.24 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent CdMg6 cuboctahedra, corners with eighteen equivalent MgMg9Cd3 cuboctahedra, edges with six equivalent CdMg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Cd bond lengths are 3.06 Å. Cd is bonded to six equivalent Mg atoms to form distorted CdMg6 cuboctahedra that share corners with twenty-four MgMg12 cuboctahedra, edges with six equivalent CdMg6 cuboctahedra, edges with twelve equivalent MgMg9Cd3 cuboctahedra, and faces with two equivalent MgMg12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1039055

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; Mg3Cd; Cd-Mg

OSTI Identifier:: 1652997

DOI:: https://doi.org/10.17188/1652997

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                    The Materials Project. Materials Data on Mg3Cd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652997.

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                    The Materials Project. Materials Data on Mg3Cd by Materials Project.  United States.  doi:https://doi.org/10.17188/1652997

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                    The Materials Project. 2020.  
"Materials Data on Mg3Cd by Materials Project".  United States.  doi:https://doi.org/10.17188/1652997.  https://www.osti.gov/servlets/purl/1652997. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1652997,

  title        = {Materials Data on Mg3Cd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Cd 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 CdMg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent CdMg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.24 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent CdMg6 cuboctahedra, corners with eighteen equivalent MgMg9Cd3 cuboctahedra, edges with six equivalent CdMg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Cd bond lengths are 3.06 Å. Cd is bonded to six equivalent Mg atoms to form distorted CdMg6 cuboctahedra that share corners with twenty-four MgMg12 cuboctahedra, edges with six equivalent CdMg6 cuboctahedra, edges with twelve equivalent MgMg9Cd3 cuboctahedra, and faces with two equivalent MgMg12 cuboctahedra.},

  doi          = {10.17188/1652997},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1652997

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