Materials Data on Cu2ClO3 by Materials Project

doi:10.17188/1705037

Title: Materials Data on Cu2ClO3 by Materials Project

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Abstract

Cu2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent O atoms to form edge-sharing CuO6 octahedra. All Cu–O bond lengths are 1.99 Å. In the second Cu site, Cu is bonded to four equivalent O and two equivalent Cl atoms to form distorted edge-sharing CuCl2O4 octahedra. All Cu–O bond lengths are 1.90 Å. Both Cu–Cl bond lengths are 2.63 Å. O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1102345

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; Cu2ClO3; Cl-Cu-O

OSTI Identifier:: 1705037

DOI:: https://doi.org/10.17188/1705037

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                    The Materials Project. Materials Data on Cu2ClO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705037.

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                    The Materials Project. Materials Data on Cu2ClO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705037

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                    The Materials Project. 2020.  
"Materials Data on Cu2ClO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705037.  https://www.osti.gov/servlets/purl/1705037. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1705037,

  title        = {Materials Data on Cu2ClO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent O atoms to form edge-sharing CuO6 octahedra. All Cu–O bond lengths are 1.99 Å. In the second Cu site, Cu is bonded to four equivalent O and two equivalent Cl atoms to form distorted edge-sharing CuCl2O4 octahedra. All Cu–O bond lengths are 1.90 Å. Both Cu–Cl bond lengths are 2.63 Å. O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Cu atoms.},

  doi          = {10.17188/1705037},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1705037

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