Materials Data on Dy5SbPd2 by Materials Project

doi:10.17188/1746960

Title: Materials Data on Dy5SbPd2 by Materials Project

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Abstract

Dy5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted DySb2Pd4 octahedra that share corners with six equivalent DySb2Pd4 octahedra, corners with sixteen equivalent DySb2Pd3 trigonal bipyramids, and faces with eight equivalent DySb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Pd bond lengths are 3.02 Å. Both Dy–Sb bond lengths are 3.41 Å. In the second Dy site, Dy is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted DySb2Pd3 trigonal bipyramids that share corners with four equivalent DySb2Pd4 octahedra, corners with twelve equivalent DySb2Pd3 trigonal bipyramids, edges with seven equivalent DySb2Pd3 trigonal bipyramids, faces with two equivalent DySb2Pd4 octahedra, and a faceface with one DySb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.99 Å) and two longer (3.00 Å) Dy–Pd bond lengths. Both Dy–Sb bond lengths are 3.28 Å. Pd is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded in a distorted q6 geometry to ten Dy atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1212864

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; Dy5SbPd2; Dy-Pd-Sb

OSTI Identifier:: 1746960

DOI:: https://doi.org/10.17188/1746960

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                    The Materials Project. Materials Data on Dy5SbPd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746960.

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                    The Materials Project. Materials Data on Dy5SbPd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746960

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                    The Materials Project. 2020.  
"Materials Data on Dy5SbPd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746960.  https://www.osti.gov/servlets/purl/1746960. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1746960,

  title        = {Materials Data on Dy5SbPd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted DySb2Pd4 octahedra that share corners with six equivalent DySb2Pd4 octahedra, corners with sixteen equivalent DySb2Pd3 trigonal bipyramids, and faces with eight equivalent DySb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Pd bond lengths are 3.02 Å. Both Dy–Sb bond lengths are 3.41 Å. In the second Dy site, Dy is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted DySb2Pd3 trigonal bipyramids that share corners with four equivalent DySb2Pd4 octahedra, corners with twelve equivalent DySb2Pd3 trigonal bipyramids, edges with seven equivalent DySb2Pd3 trigonal bipyramids, faces with two equivalent DySb2Pd4 octahedra, and a faceface with one DySb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.99 Å) and two longer (3.00 Å) Dy–Pd bond lengths. Both Dy–Sb bond lengths are 3.28 Å. Pd is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded in a distorted q6 geometry to ten Dy atoms.},

  doi          = {10.17188/1746960},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1746960

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