Materials Data on Na3MgC2ClO6 by Materials Project

doi:10.17188/1199641

Title: Materials Data on Na3MgC2ClO6 by Materials Project

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Abstract

Na3Mg(CO3)2Cl crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.41 Å) and two longer (2.47 Å) Na–O bond lengths. Both Na–Cl bond lengths are 2.88 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.10 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 rectangular see-saw-like geometry to two equivalent Na1+, one Mg2+, and one C4+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form distorted corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 59°.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-23653

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; Na3MgC2ClO6; C-Cl-Mg-Na-O

OSTI Identifier:: 1199641

DOI:: https://doi.org/10.17188/1199641

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                    The Materials Project. Materials Data on Na3MgC2ClO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199641.

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                    The Materials Project. Materials Data on Na3MgC2ClO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199641

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                    The Materials Project. 2020.  
"Materials Data on Na3MgC2ClO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199641.  https://www.osti.gov/servlets/purl/1199641. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1199641,

  title        = {Materials Data on Na3MgC2ClO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Mg(CO3)2Cl crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.41 Å) and two longer (2.47 Å) Na–O bond lengths. Both Na–Cl bond lengths are 2.88 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.10 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 rectangular see-saw-like geometry to two equivalent Na1+, one Mg2+, and one C4+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form distorted corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 59°.},

  doi          = {10.17188/1199641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1199641

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