Materials Data on Y5SbPd2 by Materials Project

doi:10.17188/1687981

Title: Materials Data on Y5SbPd2 by Materials Project

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Abstract

Y5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted YSb2Pd4 octahedra that share corners with six equivalent YSb2Pd4 octahedra, corners with sixteen equivalent YSb2Pd3 trigonal bipyramids, and faces with eight equivalent YSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Y–Pd bond lengths are 3.02 Å. Both Y–Sb bond lengths are 3.45 Å. In the second Y site, Y is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted YSb2Pd3 trigonal bipyramids that share corners with four equivalent YSb2Pd4 octahedra, corners with twelve equivalent YSb2Pd3 trigonal bipyramids, edges with seven equivalent YSb2Pd3 trigonal bipyramids, faces with two equivalent YSb2Pd4 octahedra, and a faceface with one YSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are two shorter (3.01 Å) and one longer (3.02 Å) Y–Pd bond lengths. Both Y–Sb bond lengths are 3.29 Å. Pd is bonded in a 8-coordinate geometry to eight Y atoms. Sb is bonded in a 10-coordinate geometry to ten Y atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1207717

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; Y5SbPd2; Pd-Sb-Y

OSTI Identifier:: 1687981

DOI:: https://doi.org/10.17188/1687981

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                    The Materials Project. Materials Data on Y5SbPd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687981.

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                    The Materials Project. Materials Data on Y5SbPd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687981

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                    The Materials Project. 2020.  
"Materials Data on Y5SbPd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687981.  https://www.osti.gov/servlets/purl/1687981. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1687981,

  title        = {Materials Data on Y5SbPd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted YSb2Pd4 octahedra that share corners with six equivalent YSb2Pd4 octahedra, corners with sixteen equivalent YSb2Pd3 trigonal bipyramids, and faces with eight equivalent YSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Y–Pd bond lengths are 3.02 Å. Both Y–Sb bond lengths are 3.45 Å. In the second Y site, Y is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted YSb2Pd3 trigonal bipyramids that share corners with four equivalent YSb2Pd4 octahedra, corners with twelve equivalent YSb2Pd3 trigonal bipyramids, edges with seven equivalent YSb2Pd3 trigonal bipyramids, faces with two equivalent YSb2Pd4 octahedra, and a faceface with one YSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are two shorter (3.01 Å) and one longer (3.02 Å) Y–Pd bond lengths. Both Y–Sb bond lengths are 3.29 Å. Pd is bonded in a 8-coordinate geometry to eight Y atoms. Sb is bonded in a 10-coordinate geometry to ten Y atoms.},

  doi          = {10.17188/1687981},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1687981

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