Materials Data on Na3ClO by Materials Project

doi:10.17188/1202698

Title: Materials Data on Na3ClO by Materials Project

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Abstract

Na3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Na–O bond lengths are 2.27 Å. All Na–Cl bond lengths are 3.21 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent ClNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Na1+ atoms to form ClNa12 cuboctahedra that share corners with twelve equivalent ClNa12 cuboctahedra, faces with six equivalent ClNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-28602

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; Na3ClO; Cl-Na-O

OSTI Identifier:: 1202698

DOI:: https://doi.org/10.17188/1202698

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                    The Materials Project. Materials Data on Na3ClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202698.

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                    The Materials Project. Materials Data on Na3ClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1202698

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                    The Materials Project. 2020.  
"Materials Data on Na3ClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1202698.  https://www.osti.gov/servlets/purl/1202698. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202698,

  title        = {Materials Data on Na3ClO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Na–O bond lengths are 2.27 Å. All Na–Cl bond lengths are 3.21 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent ClNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Na1+ atoms to form ClNa12 cuboctahedra that share corners with twelve equivalent ClNa12 cuboctahedra, faces with six equivalent ClNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.},

  doi          = {10.17188/1202698},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202698

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