Materials Data on CaMg6Co by Materials Project

doi:10.17188/1724680

Title: Materials Data on CaMg6Co by Materials Project

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Abstract

CaMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. There are a spread of Ca–Mg bond distances ranging from 3.08–3.63 Å. Both Ca–Co bond lengths are 3.18 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Ca and two equivalent Co atoms. Both Mg–Co bond lengths are 2.94 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ca atoms. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Ca and one Co atom. The Mg–Co bond length is 2.73 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 3.16 Å. Co is bonded in a 10-coordinate geometry to two equivalent Ca and eight Mg atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1099114

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; CaMg6Co; Ca-Co-Mg

OSTI Identifier:: 1724680

DOI:: https://doi.org/10.17188/1724680

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                    The Materials Project. Materials Data on CaMg6Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724680.

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                    The Materials Project. Materials Data on CaMg6Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1724680

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                    The Materials Project. 2020.  
"Materials Data on CaMg6Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1724680.  https://www.osti.gov/servlets/purl/1724680. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1724680,

  title        = {Materials Data on CaMg6Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. There are a spread of Ca–Mg bond distances ranging from 3.08–3.63 Å. Both Ca–Co bond lengths are 3.18 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Ca and two equivalent Co atoms. Both Mg–Co bond lengths are 2.94 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ca atoms. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Ca and one Co atom. The Mg–Co bond length is 2.73 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 3.16 Å. Co is bonded in a 10-coordinate geometry to two equivalent Ca and eight Mg atoms.},

  doi          = {10.17188/1724680},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1724680

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