Materials Data on CeBPd3 by Materials Project

doi:10.17188/1195133

Title: Materials Data on CeBPd3 by Materials Project

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Abstract

CePd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ce–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 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 CePd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-19948

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; CeBPd3; B-Ce-Pd

OSTI Identifier:: 1195133

DOI:: https://doi.org/10.17188/1195133

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                    The Materials Project. Materials Data on CeBPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195133.

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                    The Materials Project. Materials Data on CeBPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195133

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                    The Materials Project. 2020.  
"Materials Data on CeBPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195133.  https://www.osti.gov/servlets/purl/1195133. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195133,

  title        = {Materials Data on CeBPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CePd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ce–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 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 CePd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1195133},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195133

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