Materials Data on Th2SN2 by Materials Project

doi:10.17188/1304539

Title: Materials Data on Th2SN2 by Materials Project

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Abstract

Th2N2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th4+ is bonded in a 7-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are one shorter (2.38 Å) and three longer (2.39 Å) Th–N bond lengths. All Th–S bond lengths are 3.07 Å. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with six equivalent STh6 octahedra, corners with six equivalent NTh4 tetrahedra, edges with three equivalent STh6 octahedra, and edges with three equivalent NTh4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–49°. S2- is bonded to six equivalent Th4+ atoms to form distorted STh6 octahedra that share corners with twelve equivalent NTh4 tetrahedra, edges with six equivalent STh6 octahedra, and edges with six equivalent NTh4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7769

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; Th2SN2; N-S-Th

OSTI Identifier:: 1304539

DOI:: https://doi.org/10.17188/1304539

Citation Formats


                    The Materials Project. Materials Data on Th2SN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1304539.

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                    The Materials Project. Materials Data on Th2SN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304539

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                    The Materials Project. 2020.  
"Materials Data on Th2SN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1304539.  https://www.osti.gov/servlets/purl/1304539. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1304539,

  title        = {Materials Data on Th2SN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th2N2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th4+ is bonded in a 7-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are one shorter (2.38 Å) and three longer (2.39 Å) Th–N bond lengths. All Th–S bond lengths are 3.07 Å. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with six equivalent STh6 octahedra, corners with six equivalent NTh4 tetrahedra, edges with three equivalent STh6 octahedra, and edges with three equivalent NTh4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–49°. S2- is bonded to six equivalent Th4+ atoms to form distorted STh6 octahedra that share corners with twelve equivalent NTh4 tetrahedra, edges with six equivalent STh6 octahedra, and edges with six equivalent NTh4 tetrahedra.},

  doi          = {10.17188/1304539},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1304539

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