Materials Data on RbCu3SnSe4 by Materials Project

doi:10.17188/1741083

Title: Materials Data on RbCu3SnSe4 by Materials Project

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Abstract

RbCu3SnSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Se2- atoms to form RbSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.03 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.68 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.48 Å. Se2- is bonded to one Rb1+, three equivalent Cu1+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SeRbCu3Sn trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1179752

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; RbCu3SnSe4; Cu-Rb-Se-Sn

OSTI Identifier:: 1741083

DOI:: https://doi.org/10.17188/1741083

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                    The Materials Project. Materials Data on RbCu3SnSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741083.

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                    The Materials Project. Materials Data on RbCu3SnSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741083

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                    The Materials Project. 2020.  
"Materials Data on RbCu3SnSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741083.  https://www.osti.gov/servlets/purl/1741083. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1741083,

  title        = {Materials Data on RbCu3SnSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCu3SnSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Se2- atoms to form RbSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.03 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.68 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.48 Å. Se2- is bonded to one Rb1+, three equivalent Cu1+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SeRbCu3Sn trigonal bipyramids.},

  doi          = {10.17188/1741083},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741083

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