Materials Data on SrInCu3Se4 by Materials Project

doi:10.17188/1672588

Title: Materials Data on SrInCu3Se4 by Materials Project

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Abstract

SrCu3InSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent Se2- atoms to form SrSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Sr–Se bond lengths are 2.86 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent InSe4 tetrahedra. All Cu–Se bond lengths are 2.64 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All In–Se bond lengths are 2.53 Å. Se2- is bonded to one Sr2+, three equivalent Cu1+, and one In3+ atom to form a mixture of distorted corner and edge-sharing SeSrInCu3 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1179119

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; SrInCu3Se4; Cu-In-Se-Sr

OSTI Identifier:: 1672588

DOI:: https://doi.org/10.17188/1672588

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                    The Materials Project. Materials Data on SrInCu3Se4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672588.

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                    The Materials Project. Materials Data on SrInCu3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672588

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                    The Materials Project. 2019.  
"Materials Data on SrInCu3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672588.  https://www.osti.gov/servlets/purl/1672588. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1672588,

  title        = {Materials Data on SrInCu3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCu3InSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent Se2- atoms to form SrSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Sr–Se bond lengths are 2.86 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent InSe4 tetrahedra. All Cu–Se bond lengths are 2.64 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All In–Se bond lengths are 2.53 Å. Se2- is bonded to one Sr2+, three equivalent Cu1+, and one In3+ atom to form a mixture of distorted corner and edge-sharing SeSrInCu3 trigonal bipyramids.},

  doi          = {10.17188/1672588},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1672588

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