Materials Data on BaMg(CO3)2 by Materials Project

doi:10.17188/1280964

Title: Materials Data on BaMg(CO3)2 by Materials Project

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Abstract

BaMg(CO3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share edges with six equivalent BaO12 cuboctahedra and edges with six equivalent MgO6 octahedra. All Ba–O bond lengths are 2.98 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share edges with six equivalent BaO12 cuboctahedra. All Mg–O bond lengths are 2.08 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+, one Mg2+, and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-6504

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; BaMg(CO3)2; Ba-C-Mg-O

OSTI Identifier:: 1280964

DOI:: https://doi.org/10.17188/1280964

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                    The Materials Project. Materials Data on BaMg(CO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280964.

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                    The Materials Project. Materials Data on BaMg(CO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280964

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                    The Materials Project. 2020.  
"Materials Data on BaMg(CO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280964.  https://www.osti.gov/servlets/purl/1280964. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1280964,

  title        = {Materials Data on BaMg(CO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaMg(CO3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share edges with six equivalent BaO12 cuboctahedra and edges with six equivalent MgO6 octahedra. All Ba–O bond lengths are 2.98 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share edges with six equivalent BaO12 cuboctahedra. All Mg–O bond lengths are 2.08 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+, one Mg2+, and one C4+ atom.},

  doi          = {10.17188/1280964},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280964

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