Materials Data on Sr2MnCu2(SO)2 by Materials Project

doi:10.17188/1268731

Title: Materials Data on Sr2MnCu2(SO)2 by Materials Project

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Abstract

Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.23 Å. All Sr–O bond lengths are 2.63 Å. Mn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Mn–S bond lengths are 3.06 Å. All Mn–O bond lengths are 2.05 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 2.45 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, one Mn2+, and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-555285

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; Sr2MnCu2(SO)2; Cu-Mn-O-S-Sr

OSTI Identifier:: 1268731

DOI:: https://doi.org/10.17188/1268731

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                    The Materials Project. Materials Data on Sr2MnCu2(SO)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1268731.

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                    The Materials Project. Materials Data on Sr2MnCu2(SO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268731

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                    The Materials Project. 2017.  
"Materials Data on Sr2MnCu2(SO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268731.  https://www.osti.gov/servlets/purl/1268731. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1268731,

  title        = {Materials Data on Sr2MnCu2(SO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.23 Å. All Sr–O bond lengths are 2.63 Å. Mn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Mn–S bond lengths are 3.06 Å. All Mn–O bond lengths are 2.05 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 2.45 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, one Mn2+, and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1268731},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1268731

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