Materials Data on TbNp3 by Materials Project

doi:10.17188/1688158

Title: Materials Data on TbNp3 by Materials Project

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Abstract

Np3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Tb atoms to form NpTb4Np8 cuboctahedra that share corners with twelve equivalent NpTb4Np8 cuboctahedra, edges with eight equivalent TbNp12 cuboctahedra, edges with sixteen NpTb4Np8 cuboctahedra, faces with four equivalent TbNp12 cuboctahedra, and faces with fourteen NpTb4Np8 cuboctahedra. There are four shorter (3.24 Å) and four longer (3.25 Å) Np–Np bond lengths. All Np–Tb bond lengths are 3.25 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Tb atoms to form NpTb4Np8 cuboctahedra that share corners with four equivalent NpTb4Np8 cuboctahedra, corners with eight equivalent TbNp12 cuboctahedra, edges with twenty-four NpTb4Np8 cuboctahedra, faces with six equivalent TbNp12 cuboctahedra, and faces with twelve NpTb4Np8 cuboctahedra. All Np–Tb bond lengths are 3.24 Å. Tb is bonded to twelve Np atoms to form TbNp12 cuboctahedra that share corners with four equivalent TbNp12 cuboctahedra, corners with eight equivalent NpTb4Np8 cuboctahedra, edges with eight equivalent TbNp12 cuboctahedra, edges with sixteen equivalent NpTb4Np8 cuboctahedra, faces with four equivalent TbNp12 cuboctahedra, and faces withmore » fourteen NpTb4Np8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187386

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; TbNp3; Np-Tb

OSTI Identifier:: 1688158

DOI:: https://doi.org/10.17188/1688158

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                    The Materials Project. Materials Data on TbNp3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688158.

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                    The Materials Project. Materials Data on TbNp3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688158

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                    The Materials Project. 2020.  
"Materials Data on TbNp3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688158.  https://www.osti.gov/servlets/purl/1688158. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1688158,

  title        = {Materials Data on TbNp3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Np3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Tb atoms to form NpTb4Np8 cuboctahedra that share corners with twelve equivalent NpTb4Np8 cuboctahedra, edges with eight equivalent TbNp12 cuboctahedra, edges with sixteen NpTb4Np8 cuboctahedra, faces with four equivalent TbNp12 cuboctahedra, and faces with fourteen NpTb4Np8 cuboctahedra. There are four shorter (3.24 Å) and four longer (3.25 Å) Np–Np bond lengths. All Np–Tb bond lengths are 3.25 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Tb atoms to form NpTb4Np8 cuboctahedra that share corners with four equivalent NpTb4Np8 cuboctahedra, corners with eight equivalent TbNp12 cuboctahedra, edges with twenty-four NpTb4Np8 cuboctahedra, faces with six equivalent TbNp12 cuboctahedra, and faces with twelve NpTb4Np8 cuboctahedra. All Np–Tb bond lengths are 3.24 Å. Tb is bonded to twelve Np atoms to form TbNp12 cuboctahedra that share corners with four equivalent TbNp12 cuboctahedra, corners with eight equivalent NpTb4Np8 cuboctahedra, edges with eight equivalent TbNp12 cuboctahedra, edges with sixteen equivalent NpTb4Np8 cuboctahedra, faces with four equivalent TbNp12 cuboctahedra, and faces with fourteen NpTb4Np8 cuboctahedra.},

  doi          = {10.17188/1688158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1688158

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