Materials Data on CuBClO4 by Materials Project

doi:10.17188/1722050

Title: Materials Data on CuBClO4 by Materials Project

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Abstract

CuBO4Cl crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cu is bonded in a distorted rectangular see-saw-like geometry to four equivalent O and two equivalent Cl atoms. All Cu–O bond lengths are 1.84 Å. There are one shorter (2.67 Å) and one longer (2.96 Å) Cu–Cl bond lengths. B is bonded in a tetrahedral geometry to four equivalent O atoms. All B–O bond lengths are 1.47 Å. O is bonded in a bent 120 degrees geometry to one Cu and one B atom. Cl is bonded in a linear geometry to two equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1104904

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; CuBClO4; B-Cl-Cu-O

OSTI Identifier:: 1722050

DOI:: https://doi.org/10.17188/1722050

Citation Formats


                    The Materials Project. Materials Data on CuBClO4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1722050.

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                    The Materials Project. Materials Data on CuBClO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722050

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                    The Materials Project. 2018.  
"Materials Data on CuBClO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722050.  https://www.osti.gov/servlets/purl/1722050. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1722050,

  title        = {Materials Data on CuBClO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuBO4Cl crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cu is bonded in a distorted rectangular see-saw-like geometry to four equivalent O and two equivalent Cl atoms. All Cu–O bond lengths are 1.84 Å. There are one shorter (2.67 Å) and one longer (2.96 Å) Cu–Cl bond lengths. B is bonded in a tetrahedral geometry to four equivalent O atoms. All B–O bond lengths are 1.47 Å. O is bonded in a bent 120 degrees geometry to one Cu and one B atom. Cl is bonded in a linear geometry to two equivalent Cu atoms.},

  doi          = {10.17188/1722050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1722050

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