Materials Data on Tb5SbPd2 by Materials Project

doi:10.17188/1746456

Title: Materials Data on Tb5SbPd2 by Materials Project

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Abstract

Tb5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted TbSb2Pd4 octahedra that share corners with six equivalent TbSb2Pd4 octahedra, corners with sixteen equivalent TbSb2Pd3 trigonal bipyramids, and faces with eight equivalent TbSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Tb–Pd bond lengths are 3.04 Å. Both Tb–Sb bond lengths are 3.40 Å. In the second Tb site, Tb is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted TbSb2Pd3 trigonal bipyramids that share corners with four equivalent TbSb2Pd4 octahedra, corners with twelve equivalent TbSb2Pd3 trigonal bipyramids, edges with seven equivalent TbSb2Pd3 trigonal bipyramids, faces with two equivalent TbSb2Pd4 octahedra, and a faceface with one TbSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–64°. There are one shorter (3.00 Å) and two longer (3.01 Å) Tb–Pd bond lengths. Both Tb–Sb bond lengths are 3.30 Å. Pd is bonded in a 8-coordinate geometry to eight Tb atoms. Sb is bonded in a distorted q6 geometry to ten Tb atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1208413

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; Tb5SbPd2; Pd-Sb-Tb

OSTI Identifier:: 1746456

DOI:: https://doi.org/10.17188/1746456

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                    The Materials Project. Materials Data on Tb5SbPd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746456.

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                    The Materials Project. Materials Data on Tb5SbPd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746456

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                    The Materials Project. 2020.  
"Materials Data on Tb5SbPd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746456.  https://www.osti.gov/servlets/purl/1746456. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746456,

  title        = {Materials Data on Tb5SbPd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted TbSb2Pd4 octahedra that share corners with six equivalent TbSb2Pd4 octahedra, corners with sixteen equivalent TbSb2Pd3 trigonal bipyramids, and faces with eight equivalent TbSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Tb–Pd bond lengths are 3.04 Å. Both Tb–Sb bond lengths are 3.40 Å. In the second Tb site, Tb is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted TbSb2Pd3 trigonal bipyramids that share corners with four equivalent TbSb2Pd4 octahedra, corners with twelve equivalent TbSb2Pd3 trigonal bipyramids, edges with seven equivalent TbSb2Pd3 trigonal bipyramids, faces with two equivalent TbSb2Pd4 octahedra, and a faceface with one TbSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–64°. There are one shorter (3.00 Å) and two longer (3.01 Å) Tb–Pd bond lengths. Both Tb–Sb bond lengths are 3.30 Å. Pd is bonded in a 8-coordinate geometry to eight Tb atoms. Sb is bonded in a distorted q6 geometry to ten Tb atoms.},

  doi          = {10.17188/1746456},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746456

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