Materials Data on LaBPd3 by Materials Project

doi:10.17188/1207524

Title: Materials Data on LaBPd3 by Materials Project

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Abstract

LaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Pd atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent LaPd12 cuboctahedra, faces with six equivalent LaPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All La–Pd bond lengths are 3.12 Å. Pd is bonded to four equivalent La and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.21 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent LaPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-3846

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; LaBPd3; B-La-Pd

OSTI Identifier:: 1207524

DOI:: https://doi.org/10.17188/1207524

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                    The Materials Project. Materials Data on LaBPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207524.

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                    The Materials Project. Materials Data on LaBPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207524

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                    The Materials Project. 2020.  
"Materials Data on LaBPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207524.  https://www.osti.gov/servlets/purl/1207524. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207524,

  title        = {Materials Data on LaBPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Pd atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent LaPd12 cuboctahedra, faces with six equivalent LaPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All La–Pd bond lengths are 3.12 Å. Pd is bonded to four equivalent La and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.21 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent LaPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1207524},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207524

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