Materials Data on Th2N2O by Materials Project

doi:10.17188/1711539

Title: Materials Data on Th2N2O by Materials Project

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Abstract

Th2N2O 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 O2- atoms. There are three shorter (2.35 Å) and one longer (2.38 Å) Th–N bond lengths. All Th–O bond lengths are 2.74 Å. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with six equivalent OTh6 octahedra, corners with six equivalent NTh4 tetrahedra, edges with three equivalent OTh6 octahedra, and edges with three equivalent NTh4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–56°. O2- is bonded to six equivalent Th4+ atoms to form OTh6 octahedra that share corners with twelve equivalent NTh4 tetrahedra, edges with six equivalent OTh6 octahedra, and edges with six equivalent NTh4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1206128

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; Th2N2O; N-O-Th

OSTI Identifier:: 1711539

DOI:: https://doi.org/10.17188/1711539

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                    The Materials Project. Materials Data on Th2N2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711539.

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                    The Materials Project. Materials Data on Th2N2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1711539

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                    The Materials Project. 2020.  
"Materials Data on Th2N2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1711539.  https://www.osti.gov/servlets/purl/1711539. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711539,

  title        = {Materials Data on Th2N2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th2N2O 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 O2- atoms. There are three shorter (2.35 Å) and one longer (2.38 Å) Th–N bond lengths. All Th–O bond lengths are 2.74 Å. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with six equivalent OTh6 octahedra, corners with six equivalent NTh4 tetrahedra, edges with three equivalent OTh6 octahedra, and edges with three equivalent NTh4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–56°. O2- is bonded to six equivalent Th4+ atoms to form OTh6 octahedra that share corners with twelve equivalent NTh4 tetrahedra, edges with six equivalent OTh6 octahedra, and edges with six equivalent NTh4 tetrahedra.},

  doi          = {10.17188/1711539},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711539

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