Materials Data on Cu2ClO3 by Materials Project

doi:10.17188/1698946

Title: Materials Data on Cu2ClO3 by Materials Project

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Abstract

Cu2O3Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Cu2O3Cl sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted square co-planar geometry to four O and two equivalent Cl atoms. There is two shorter (1.84 Å) and two longer (1.88 Å) Cu–O bond length. Both Cu–Cl bond lengths are 2.74 Å. In the second Cu site, Cu is bonded to five O and one Cl atom to form distorted edge-sharing CuClO5 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.25 Å. The Cu–Cl bond length is 2.45 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 1-coordinate geometry to three Cu atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102607

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:: 1698946

DOI:: https://doi.org/10.17188/1698946

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                    The Materials Project. Materials Data on Cu2ClO3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1698946.

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                    The Materials Project. Materials Data on Cu2ClO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698946

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                    The Materials Project. 2018.  
"Materials Data on Cu2ClO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698946.  https://www.osti.gov/servlets/purl/1698946. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1698946,

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

  author       = {The Materials Project},

  abstractNote = {Cu2O3Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Cu2O3Cl sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted square co-planar geometry to four O and two equivalent Cl atoms. There is two shorter (1.84 Å) and two longer (1.88 Å) Cu–O bond length. Both Cu–Cl bond lengths are 2.74 Å. In the second Cu site, Cu is bonded to five O and one Cl atom to form distorted edge-sharing CuClO5 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.25 Å. The Cu–Cl bond length is 2.45 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 1-coordinate geometry to three Cu atoms.},

  doi          = {10.17188/1698946},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1698946

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