Materials Data on TlHPd3 by Materials Project

doi:10.17188/1709785

Title: Materials Data on TlHPd3 by Materials Project

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Abstract

Pd3TlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to four equivalent Tl and two equivalent H atoms to form a mixture of face, edge, and corner-sharing PdTl4H2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. All Pd–Tl bond lengths are 2.93 Å. Both Pd–H bond lengths are 2.07 Å. Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra, faces with six equivalent TlPd12 cuboctahedra, and faces with eight equivalent HPd6 octahedra. H is bonded to six equivalent Pd atoms to form HPd6 octahedra that share corners with six equivalent HPd6 octahedra and faces with eight equivalent TlPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1068746

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; TlHPd3; H-Pd-Tl

OSTI Identifier:: 1709785

DOI:: https://doi.org/10.17188/1709785

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                    The Materials Project. Materials Data on TlHPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709785.

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                    The Materials Project. Materials Data on TlHPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709785

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                    The Materials Project. 2020.  
"Materials Data on TlHPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709785.  https://www.osti.gov/servlets/purl/1709785. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1709785,

  title        = {Materials Data on TlHPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3TlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to four equivalent Tl and two equivalent H atoms to form a mixture of face, edge, and corner-sharing PdTl4H2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. All Pd–Tl bond lengths are 2.93 Å. Both Pd–H bond lengths are 2.07 Å. Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra, faces with six equivalent TlPd12 cuboctahedra, and faces with eight equivalent HPd6 octahedra. H is bonded to six equivalent Pd atoms to form HPd6 octahedra that share corners with six equivalent HPd6 octahedra and faces with eight equivalent TlPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1709785},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1709785

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