Materials Data on Mg2C3ClO15 by Materials Project

doi:10.17188/1722488

Title: Materials Data on Mg2C3ClO15 by Materials Project

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Abstract

(Mg2(CO5)3)2Cl2 is Halite, Rock Salt structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six hydrochloric acid molecules and six Mg2(CO5)3 clusters. In each Mg2(CO5)3 cluster, Mg is bonded in an octahedral geometry to six O atoms. There are three shorter (2.03 Å) and three longer (2.16 Å) Mg–O bond lengths. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1196274

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; Mg2C3ClO15; C-Cl-Mg-O

OSTI Identifier:: 1722488

DOI:: https://doi.org/10.17188/1722488

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                    The Materials Project. Materials Data on Mg2C3ClO15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722488.

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                    The Materials Project. Materials Data on Mg2C3ClO15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722488

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                    The Materials Project. 2020.  
"Materials Data on Mg2C3ClO15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722488.  https://www.osti.gov/servlets/purl/1722488. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1722488,

  title        = {Materials Data on Mg2C3ClO15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Mg2(CO5)3)2Cl2 is Halite, Rock Salt structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six hydrochloric acid molecules and six Mg2(CO5)3 clusters. In each Mg2(CO5)3 cluster, Mg is bonded in an octahedral geometry to six O atoms. There are three shorter (2.03 Å) and three longer (2.16 Å) Mg–O bond lengths. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom.},

  doi          = {10.17188/1722488},

  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/10.17188/1722488

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