Materials Data on Sr2ZnCu2(SO)2 by Materials Project

doi:10.17188/1313233

Title: Materials Data on Sr2ZnCu2(SO)2 by Materials Project

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Abstract

Sr2Cu2ZnO2S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.20 Å. All Sr–O bond lengths are 2.60 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.43 Å. Zn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Zn–S bond lengths are 3.10 Å. All Zn–O bond lengths are 2.02 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu1+, and one Zn2+ atom. O2- is bonded to four equivalent Sr2+ and two equivalent Zn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Zn2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-9453

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; Sr2ZnCu2(SO)2; Cu-O-S-Sr-Zn

OSTI Identifier:: 1313233

DOI:: https://doi.org/10.17188/1313233

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                    The Materials Project. Materials Data on Sr2ZnCu2(SO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313233.

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                    The Materials Project. Materials Data on Sr2ZnCu2(SO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313233

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                    The Materials Project. 2020.  
"Materials Data on Sr2ZnCu2(SO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313233.  https://www.osti.gov/servlets/purl/1313233. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1313233,

  title        = {Materials Data on Sr2ZnCu2(SO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Cu2ZnO2S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.20 Å. All Sr–O bond lengths are 2.60 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.43 Å. Zn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Zn–S bond lengths are 3.10 Å. All Zn–O bond lengths are 2.02 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu1+, and one Zn2+ atom. O2- is bonded to four equivalent Sr2+ and two equivalent Zn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Zn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1313233},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313233

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