Materials Data on TbNaS2 by Materials Project

doi:10.17188/1317479

Title: Materials Data on TbNaS2 by Materials Project

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Abstract

NaTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.94 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Tb–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2017-05-09

Other Number(s):: mp-999126

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; TbNaS2; Na-S-Tb

OSTI Identifier:: 1317479

DOI:: https://doi.org/10.17188/1317479

Citation Formats


                    The Materials Project. Materials Data on TbNaS2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1317479.

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                    The Materials Project. Materials Data on TbNaS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317479

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                    The Materials Project. 2017.  
"Materials Data on TbNaS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317479.  https://www.osti.gov/servlets/purl/1317479. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1317479,

  title        = {Materials Data on TbNaS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.94 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Tb–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1317479},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1317479

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