Materials Data on Th2SbNO by Materials Project

doi:10.17188/1753805

Title: Materials Data on Th2SbNO by Materials Project

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Abstract

Th2SbNO crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent Sb3-, two equivalent N3-, and two equivalent O2- atoms. All Th–Sb bond lengths are 3.50 Å. Both Th–N bond lengths are 2.37 Å. Both Th–O bond lengths are 2.37 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Th4+ atoms. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with four equivalent NTh4 tetrahedra and edges with four equivalent OTh4 tetrahedra. O2- is bonded to four equivalent Th4+ atoms to form OTh4 tetrahedra that share corners with four equivalent OTh4 tetrahedra and edges with four equivalent NTh4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1217259

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; Th2SbNO; N-O-Sb-Th

OSTI Identifier:: 1753805

DOI:: https://doi.org/10.17188/1753805

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                    The Materials Project. Materials Data on Th2SbNO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753805.

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                    The Materials Project. Materials Data on Th2SbNO by Materials Project.  United States.  doi:https://doi.org/10.17188/1753805

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                    The Materials Project. 2020.  
"Materials Data on Th2SbNO by Materials Project".  United States.  doi:https://doi.org/10.17188/1753805.  https://www.osti.gov/servlets/purl/1753805. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1753805,

  title        = {Materials Data on Th2SbNO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th2SbNO crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent Sb3-, two equivalent N3-, and two equivalent O2- atoms. All Th–Sb bond lengths are 3.50 Å. Both Th–N bond lengths are 2.37 Å. Both Th–O bond lengths are 2.37 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Th4+ atoms. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with four equivalent NTh4 tetrahedra and edges with four equivalent OTh4 tetrahedra. O2- is bonded to four equivalent Th4+ atoms to form OTh4 tetrahedra that share corners with four equivalent OTh4 tetrahedra and edges with four equivalent NTh4 tetrahedra.},

  doi          = {10.17188/1753805},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753805

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