Materials Data on CuClO by Materials Project

doi:10.17188/1707399

Title: Materials Data on CuClO by Materials Project

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Abstract

CuOCl crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one CuOCl sheet oriented in the (0, 0, 1) direction. Cu3+ is bonded in a 6-coordinate geometry to three equivalent O2- and three equivalent Cl1- atoms. There are a spread of Cu–O bond distances ranging from 1.88–1.94 Å. There are a spread of Cu–Cl bond distances ranging from 2.20–2.78 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Cu3+ atoms. Cl1- is bonded in a 1-coordinate geometry to three equivalent Cu3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1102554

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; CuClO; Cl-Cu-O

OSTI Identifier:: 1707399

DOI:: https://doi.org/10.17188/1707399

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                    The Materials Project. Materials Data on CuClO by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1707399.

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                    The Materials Project. Materials Data on CuClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1707399

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                    The Materials Project. 2018.  
"Materials Data on CuClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1707399.  https://www.osti.gov/servlets/purl/1707399. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1707399,

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

  author       = {The Materials Project},

  abstractNote = {CuOCl crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one CuOCl sheet oriented in the (0, 0, 1) direction. Cu3+ is bonded in a 6-coordinate geometry to three equivalent O2- and three equivalent Cl1- atoms. There are a spread of Cu–O bond distances ranging from 1.88–1.94 Å. There are a spread of Cu–Cl bond distances ranging from 2.20–2.78 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Cu3+ atoms. Cl1- is bonded in a 1-coordinate geometry to three equivalent Cu3+ atoms.},

  doi          = {10.17188/1707399},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1707399

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