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.

Publication Date:: 2020-07-14

Other Number(s):: mp-30491

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; Cd-Mg; crystal structure; MgCd3

OSTI Identifier:: 1204895

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

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

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

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                    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:Tue Jul 14 20:00:00 EDT 2020

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@article{osti_1204895,

  title        = {Materials Data on MgCd3 by 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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