Materials Data on CaMg2 by Materials Project

doi:10.17188/1664050

Title: Materials Data on CaMg2 by Materials Project

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Abstract

Mg2Ca crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded to two equivalent Ca and ten equivalent Mg atoms to form CaCa2Mg10 cuboctahedra that share corners with six equivalent CaCa2Mg10 cuboctahedra, corners with twelve equivalent MgCa5Mg7 cuboctahedra, edges with eight equivalent MgCa5Mg7 cuboctahedra, edges with ten equivalent CaCa2Mg10 cuboctahedra, faces with four equivalent CaCa2Mg10 cuboctahedra, and faces with sixteen equivalent MgCa5Mg7 cuboctahedra. Both Ca–Ca bond lengths are 3.41 Å. There are a spread of Ca–Mg bond distances ranging from 3.36–3.53 Å. Mg is bonded to five equivalent Ca and seven equivalent Mg atoms to form distorted MgCa5Mg7 cuboctahedra that share corners with six equivalent CaCa2Mg10 cuboctahedra, corners with twelve equivalent MgCa5Mg7 cuboctahedra, edges with four equivalent CaCa2Mg10 cuboctahedra, edges with fourteen equivalent MgCa5Mg7 cuboctahedra, faces with eight equivalent CaCa2Mg10 cuboctahedra, and faces with twelve equivalent MgCa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.47 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1038946

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; CaMg2; Ca-Mg

OSTI Identifier:: 1664050

DOI:: https://doi.org/10.17188/1664050

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                    The Materials Project. Materials Data on CaMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664050.

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                    The Materials Project. Materials Data on CaMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664050

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                    The Materials Project. 2020.  
"Materials Data on CaMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664050.  https://www.osti.gov/servlets/purl/1664050. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1664050,

  title        = {Materials Data on CaMg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Ca crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded to two equivalent Ca and ten equivalent Mg atoms to form CaCa2Mg10 cuboctahedra that share corners with six equivalent CaCa2Mg10 cuboctahedra, corners with twelve equivalent MgCa5Mg7 cuboctahedra, edges with eight equivalent MgCa5Mg7 cuboctahedra, edges with ten equivalent CaCa2Mg10 cuboctahedra, faces with four equivalent CaCa2Mg10 cuboctahedra, and faces with sixteen equivalent MgCa5Mg7 cuboctahedra. Both Ca–Ca bond lengths are 3.41 Å. There are a spread of Ca–Mg bond distances ranging from 3.36–3.53 Å. Mg is bonded to five equivalent Ca and seven equivalent Mg atoms to form distorted MgCa5Mg7 cuboctahedra that share corners with six equivalent CaCa2Mg10 cuboctahedra, corners with twelve equivalent MgCa5Mg7 cuboctahedra, edges with four equivalent CaCa2Mg10 cuboctahedra, edges with fourteen equivalent MgCa5Mg7 cuboctahedra, faces with eight equivalent CaCa2Mg10 cuboctahedra, and faces with twelve equivalent MgCa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.47 Å.},

  doi          = {10.17188/1664050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

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DOI: https://doi.org/10.17188/1664050

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