Materials Data on NaSmSe2 by Materials Project

doi:10.17188/1317575

Title: Materials Data on NaSmSe2 by Materials Project

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Abstract

NaSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.07 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Se bond lengths are 2.94 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2017-05-09

Other Number(s):: mp-999450

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; NaSmSe2; Na-Se-Sm

OSTI Identifier:: 1317575

DOI:: https://doi.org/10.17188/1317575

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                    The Materials Project. Materials Data on NaSmSe2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1317575.

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                    The Materials Project. Materials Data on NaSmSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317575

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                    The Materials Project. 2017.  
"Materials Data on NaSmSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317575.  https://www.osti.gov/servlets/purl/1317575. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1317575,

  title        = {Materials Data on NaSmSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.07 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Se bond lengths are 2.94 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1317575},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1317575

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