Materials Data on MgCd3 by Materials Project

doi:10.17188/1204895

Title: Materials Data on MgCd3 by Materials Project

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Abstract

MgCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Cd atoms to form MgCd12 cuboctahedra that share corners with six equivalent MgCd12 cuboctahedra, corners with twelve equivalent CdMg4Cd8 cuboctahedra, edges with eighteen equivalent CdMg4Cd8 cuboctahedra, faces with eight equivalent MgCd12 cuboctahedra, and faces with twelve equivalent CdMg4Cd8 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.18 Å) Mg–Cd bond lengths. Cd is bonded to four equivalent Mg and eight equivalent Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with four equivalent MgCd12 cuboctahedra, corners with fourteen equivalent CdMg4Cd8 cuboctahedra, edges with six equivalent MgCd12 cuboctahedra, edges with twelve equivalent CdMg4Cd8 cuboctahedra, faces with four equivalent MgCd12 cuboctahedra, and faces with sixteen equivalent CdMg4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.12–3.19 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30491

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; MgCd3; Cd-Mg

OSTI Identifier:: 1204895

DOI:: https://doi.org/10.17188/1204895

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                    The Materials Project. Materials Data on MgCd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204895.

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                    The Materials Project. Materials Data on MgCd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204895

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                    The Materials Project. 2020.  
"Materials Data on MgCd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204895.  https://www.osti.gov/servlets/purl/1204895. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204895,

  title        = {Materials Data on MgCd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Cd atoms to form MgCd12 cuboctahedra that share corners with six equivalent MgCd12 cuboctahedra, corners with twelve equivalent CdMg4Cd8 cuboctahedra, edges with eighteen equivalent CdMg4Cd8 cuboctahedra, faces with eight equivalent MgCd12 cuboctahedra, and faces with twelve equivalent CdMg4Cd8 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.18 Å) Mg–Cd bond lengths. Cd is bonded to four equivalent Mg and eight equivalent Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with four equivalent MgCd12 cuboctahedra, corners with fourteen equivalent CdMg4Cd8 cuboctahedra, edges with six equivalent MgCd12 cuboctahedra, edges with twelve equivalent CdMg4Cd8 cuboctahedra, faces with four equivalent MgCd12 cuboctahedra, and faces with sixteen equivalent CdMg4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.12–3.19 Å.},

  doi          = {10.17188/1204895},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204895

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