Materials Data on LaBPt3 by Materials Project

doi:10.17188/1350277

Title: Materials Data on LaBPt3 by Materials Project

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Abstract

LaPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Pt2- atoms to form LaPt12 cuboctahedra that share corners with twelve equivalent LaPt12 cuboctahedra, faces with six equivalent LaPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All La–Pt bond lengths are 3.13 Å. Pt2- is bonded to four equivalent La3+ and two equivalent B3+ atoms to form a mixture of distorted edge, face, and corner-sharing PtLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.22 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent LaPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-1018633

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; LaBPt3; B-La-Pt

OSTI Identifier:: 1350277

DOI:: https://doi.org/10.17188/1350277

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                    The Materials Project. Materials Data on LaBPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350277.

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                    The Materials Project. Materials Data on LaBPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350277

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                    The Materials Project. 2020.  
"Materials Data on LaBPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350277.  https://www.osti.gov/servlets/purl/1350277. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1350277,

  title        = {Materials Data on LaBPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Pt2- atoms to form LaPt12 cuboctahedra that share corners with twelve equivalent LaPt12 cuboctahedra, faces with six equivalent LaPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All La–Pt bond lengths are 3.13 Å. Pt2- is bonded to four equivalent La3+ and two equivalent B3+ atoms to form a mixture of distorted edge, face, and corner-sharing PtLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.22 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent LaPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1350277},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350277

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