Materials Data on NpSc3 by Materials Project

doi:10.17188/1728422

Title: Materials Data on NpSc3 by Materials Project

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Abstract

NpSc3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Sc atoms to form NpSc12 cuboctahedra that share corners with four equivalent NpSc12 cuboctahedra, corners with eight equivalent ScNp4Sc8 cuboctahedra, edges with eight equivalent NpSc12 cuboctahedra, edges with sixteen equivalent ScNp4Sc8 cuboctahedra, faces with four equivalent NpSc12 cuboctahedra, and faces with fourteen ScNp4Sc8 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.28 Å) Np–Sc bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Np and eight Sc atoms to form ScNp4Sc8 cuboctahedra that share corners with twelve equivalent ScNp4Sc8 cuboctahedra, edges with eight equivalent NpSc12 cuboctahedra, edges with sixteen ScNp4Sc8 cuboctahedra, faces with four equivalent NpSc12 cuboctahedra, and faces with fourteen ScNp4Sc8 cuboctahedra. There are four shorter (3.19 Å) and four longer (3.28 Å) Sc–Sc bond lengths. In the second Sc site, Sc is bonded to four equivalent Np and eight equivalent Sc atoms to form ScNp4Sc8 cuboctahedra that share corners with four equivalent ScNp4Sc8 cuboctahedra, corners with eight equivalent NpSc12 cuboctahedra, edges with twenty-four ScNp4Sc8 cuboctahedra, faces with six equivalent NpSc12 cuboctahedra, and faces withmore » twelve ScNp4Sc8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1186393

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; NpSc3; Np-Sc

OSTI Identifier:: 1728422

DOI:: https://doi.org/10.17188/1728422

Citation Formats


                    The Materials Project. Materials Data on NpSc3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728422.

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                    The Materials Project. Materials Data on NpSc3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728422

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                    The Materials Project. 2020.  
"Materials Data on NpSc3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728422.  https://www.osti.gov/servlets/purl/1728422. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1728422,

  title        = {Materials Data on NpSc3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NpSc3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Sc atoms to form NpSc12 cuboctahedra that share corners with four equivalent NpSc12 cuboctahedra, corners with eight equivalent ScNp4Sc8 cuboctahedra, edges with eight equivalent NpSc12 cuboctahedra, edges with sixteen equivalent ScNp4Sc8 cuboctahedra, faces with four equivalent NpSc12 cuboctahedra, and faces with fourteen ScNp4Sc8 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.28 Å) Np–Sc bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Np and eight Sc atoms to form ScNp4Sc8 cuboctahedra that share corners with twelve equivalent ScNp4Sc8 cuboctahedra, edges with eight equivalent NpSc12 cuboctahedra, edges with sixteen ScNp4Sc8 cuboctahedra, faces with four equivalent NpSc12 cuboctahedra, and faces with fourteen ScNp4Sc8 cuboctahedra. There are four shorter (3.19 Å) and four longer (3.28 Å) Sc–Sc bond lengths. In the second Sc site, Sc is bonded to four equivalent Np and eight equivalent Sc atoms to form ScNp4Sc8 cuboctahedra that share corners with four equivalent ScNp4Sc8 cuboctahedra, corners with eight equivalent NpSc12 cuboctahedra, edges with twenty-four ScNp4Sc8 cuboctahedra, faces with six equivalent NpSc12 cuboctahedra, and faces with twelve ScNp4Sc8 cuboctahedra.},

  doi          = {10.17188/1728422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728422

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