Materials Data on Cu(AsO2)2 by Materials Project

doi:10.17188/1197497

Title: Materials Data on Cu(AsO2)2 by Materials Project

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Abstract

CuAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Cu1+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are four shorter (1.96 Å) and two longer (2.61 Å) Cu–O bond lengths. As+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.81 Å) and two longer (1.85 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu1+ and two equivalent As+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+ and one As+3.50+ atom.

Publication Date:: 2020-07-23

Other Number(s):: mp-22271

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Cu-O; Cu(AsO2)2; crystal structure

OSTI Identifier:: 1197497

DOI:: https://doi.org/10.17188/1197497

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                    Materials Data on Cu(AsO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197497.

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                    Materials Data on Cu(AsO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197497

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                    2020.  
"Materials Data on Cu(AsO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197497.  https://www.osti.gov/servlets/purl/1197497. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1197497,

  title        = {Materials Data on Cu(AsO2)2 by Materials Project},

  
  abstractNote = {CuAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Cu1+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are four shorter (1.96 Å) and two longer (2.61 Å) Cu–O bond lengths. As+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.81 Å) and two longer (1.85 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu1+ and two equivalent As+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+ and one As+3.50+ atom.},

  doi          = {10.17188/1197497},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197497

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