Materials Data on Na4SnSe4 by Materials Project

doi:10.17188/1202825

Title: Materials Data on Na4SnSe4 by Materials Project

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Abstract

Na4SnSe4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Se2- atoms to form NaSe5 trigonal bipyramids that share corners with three equivalent SnSe4 tetrahedra, corners with ten equivalent NaSe5 trigonal bipyramids, an edgeedge with one SnSe4 tetrahedra, and edges with five equivalent NaSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.95–3.27 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with twelve equivalent NaSe5 trigonal bipyramids and edges with four equivalent NaSe5 trigonal bipyramids. All Sn–Se bond lengths are 2.57 Å. Se2- is bonded in a 6-coordinate geometry to five equivalent Na1+ and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-28768

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; Na4SnSe4; Na-Se-Sn

OSTI Identifier:: 1202825

DOI:: https://doi.org/10.17188/1202825

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                    The Materials Project. Materials Data on Na4SnSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202825.

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                    The Materials Project. Materials Data on Na4SnSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202825

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                    The Materials Project. 2020.  
"Materials Data on Na4SnSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202825.  https://www.osti.gov/servlets/purl/1202825. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1202825,

  title        = {Materials Data on Na4SnSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4SnSe4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Se2- atoms to form NaSe5 trigonal bipyramids that share corners with three equivalent SnSe4 tetrahedra, corners with ten equivalent NaSe5 trigonal bipyramids, an edgeedge with one SnSe4 tetrahedra, and edges with five equivalent NaSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.95–3.27 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with twelve equivalent NaSe5 trigonal bipyramids and edges with four equivalent NaSe5 trigonal bipyramids. All Sn–Se bond lengths are 2.57 Å. Se2- is bonded in a 6-coordinate geometry to five equivalent Na1+ and one Sn4+ atom.},

  doi          = {10.17188/1202825},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202825

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