Materials Data on Mg2CO5 by Materials Project

doi:10.17188/1740392

Title: Materials Data on Mg2CO5 by Materials Project

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Abstract

Mg2CO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.20 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.50 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg and one C atom. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to three Mg and one C atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one C atom. In the fourth O site, O is bonded in a trigonal planar geometry to three Mg atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometrymore » to three Mg atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1200429

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; Mg2CO5; C-Mg-O

OSTI Identifier:: 1740392

DOI:: https://doi.org/10.17188/1740392

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                    The Materials Project. Materials Data on Mg2CO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740392.

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                    The Materials Project. Materials Data on Mg2CO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740392

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                    The Materials Project. 2020.  
"Materials Data on Mg2CO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740392.  https://www.osti.gov/servlets/purl/1740392. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740392,

  title        = {Materials Data on Mg2CO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2CO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.20 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.50 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg and one C atom. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to three Mg and one C atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one C atom. In the fourth O site, O is bonded in a trigonal planar geometry to three Mg atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms.},

  doi          = {10.17188/1740392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740392

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