Materials Data on Sr2Cu3(ClO2)2 by Materials Project

doi:10.17188/1267311

Title: Materials Data on Sr2Cu3(ClO2)2 by Materials Project

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Abstract

Sr2Cu3O4Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Sr–O bond lengths are 2.64 Å. All Sr–Cl bond lengths are 3.10 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.94 Å. O2- is bonded to two equivalent Sr2+ and three Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Cu3 trigonal bipyramids. Cl1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-547517

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; Sr2Cu3(ClO2)2; Cl-Cu-O-Sr

OSTI Identifier:: 1267311

DOI:: https://doi.org/10.17188/1267311

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                    The Materials Project. Materials Data on Sr2Cu3(ClO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267311.

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                    The Materials Project. Materials Data on Sr2Cu3(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267311

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                    The Materials Project. 2020.  
"Materials Data on Sr2Cu3(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267311.  https://www.osti.gov/servlets/purl/1267311. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267311,

  title        = {Materials Data on Sr2Cu3(ClO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Cu3O4Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Sr–O bond lengths are 2.64 Å. All Sr–Cl bond lengths are 3.10 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.94 Å. O2- is bonded to two equivalent Sr2+ and three Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Cu3 trigonal bipyramids. Cl1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms.},

  doi          = {10.17188/1267311},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267311

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