Materials Data on Ca2Mg by Materials Project

doi:10.17188/1698582

Title: Materials Data on Ca2Mg by Materials Project

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Abstract

Ca2Mg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to eight Ca and four equivalent Mg atoms to form a mixture of distorted edge, face, and corner-sharing CaCa8Mg4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.61–3.83 Å. All Ca–Mg bond lengths are 3.64 Å. In the second Ca site, Ca is bonded to six equivalent Ca and six equivalent Mg atoms to form a mixture of edge and face-sharing CaCa6Mg6 cuboctahedra. All Ca–Mg bond lengths are 3.68 Å. Mg is bonded in a 9-coordinate geometry to nine Ca atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1038937

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; Ca-Mg; Ca2Mg; crystal structure

OSTI Identifier:: 1698582

DOI:: https://doi.org/10.17188/1698582

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                    Materials Data on Ca2Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698582.

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                    Materials Data on Ca2Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1698582

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                    2020.  
"Materials Data on Ca2Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1698582.  https://www.osti.gov/servlets/purl/1698582. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1698582,

  title        = {Materials Data on Ca2Mg by Materials Project},

  
  abstractNote = {Ca2Mg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to eight Ca and four equivalent Mg atoms to form a mixture of distorted edge, face, and corner-sharing CaCa8Mg4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.61–3.83 Å. All Ca–Mg bond lengths are 3.64 Å. In the second Ca site, Ca is bonded to six equivalent Ca and six equivalent Mg atoms to form a mixture of edge and face-sharing CaCa6Mg6 cuboctahedra. All Ca–Mg bond lengths are 3.68 Å. Mg is bonded in a 9-coordinate geometry to nine Ca atoms.},

  doi          = {10.17188/1698582},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698582

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