Materials Data on Sr2Cu(ClO)2 by Materials Project

doi:10.17188/1199239

Title: Materials Data on Sr2Cu(ClO)2 by Materials Project

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Abstract

Sr2CuO2Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Sr–O bond lengths are 2.63 Å. There are four shorter (3.07 Å) and one longer (3.39 Å) Sr–Cl bond lengths. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.99 Å. Both Cu–Cl bond lengths are 2.93 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a 6-coordinate geometry to five equivalent Sr2+ and one Cu2+ atom.

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-23102

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; Cl-Cu-O-Sr; Sr2Cu(ClO)2; crystal structure

OSTI Identifier:: 1199239

DOI:: https://doi.org/10.17188/1199239

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                    Materials Data on Sr2Cu(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199239.

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                    Materials Data on Sr2Cu(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199239

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                    2020.  
"Materials Data on Sr2Cu(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199239.  https://www.osti.gov/servlets/purl/1199239. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199239,

  title        = {Materials Data on Sr2Cu(ClO)2 by Materials Project},

  
  abstractNote = {Sr2CuO2Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Sr–O bond lengths are 2.63 Å. There are four shorter (3.07 Å) and one longer (3.39 Å) Sr–Cl bond lengths. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.99 Å. Both Cu–Cl bond lengths are 2.93 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a 6-coordinate geometry to five equivalent Sr2+ and one Cu2+ atom.},

  doi          = {10.17188/1199239},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199239

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