Materials Data on Mg(CO2)2 by Materials Project

doi:10.17188/1289212

Title: Materials Data on Mg(CO2)2 by Materials Project

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Abstract

MgC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mg–O bond distances ranging from 2.02–2.27 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one C3+ atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-754005

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Mg-O; Mg(CO2)2; crystal structure

OSTI Identifier:: 1289212

DOI:: https://doi.org/10.17188/1289212

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                    Materials Data on Mg(CO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289212.

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                    Materials Data on Mg(CO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289212

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                    2020.  
"Materials Data on Mg(CO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289212.  https://www.osti.gov/servlets/purl/1289212. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1289212,

  title        = {Materials Data on Mg(CO2)2 by Materials Project},

  
  abstractNote = {MgC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mg–O bond distances ranging from 2.02–2.27 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one C3+ atom.},

  doi          = {10.17188/1289212},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289212

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