Materials Data on Ca2Mg by Materials Project

doi:10.17188/1692868

Title: Materials Data on Ca2Mg by Materials Project

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Abstract

Ca2Mg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ca2Mg sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to four equivalent Mg atoms. There are two shorter (3.46 Å) and two longer (3.52 Å) Ca–Mg bond lengths. In the second Ca site, Ca is bonded to two equivalent Mg atoms to form distorted corner-sharing CaMg2 cuboctahedra. Both Ca–Mg bond lengths are 3.56 Å. Mg is bonded in a distorted hexagonal planar geometry to six Ca atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1039421

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; Ca2Mg; Ca-Mg

OSTI Identifier:: 1692868

DOI:: https://doi.org/10.17188/1692868

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                    The Materials Project. Materials Data on Ca2Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1692868.

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                    The Materials Project. Materials Data on Ca2Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1692868

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                    The Materials Project. 2020.  
"Materials Data on Ca2Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1692868.  https://www.osti.gov/servlets/purl/1692868. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1692868,

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

  author       = {The Materials Project},

  abstractNote = {Ca2Mg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ca2Mg sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to four equivalent Mg atoms. There are two shorter (3.46 Å) and two longer (3.52 Å) Ca–Mg bond lengths. In the second Ca site, Ca is bonded to two equivalent Mg atoms to form distorted corner-sharing CaMg2 cuboctahedra. Both Ca–Mg bond lengths are 3.56 Å. Mg is bonded in a distorted hexagonal planar geometry to six Ca atoms.},

  doi          = {10.17188/1692868},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1692868

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