Materials Data on BPd3 by Materials Project

doi:10.17188/1195648

Title: Materials Data on BPd3 by Materials Project

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Abstract

Pd3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pd3B sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 150 degrees geometry to two equivalent B atoms. There are one shorter (2.17 Å) and one longer (2.22 Å) Pd–B bond lengths. In the second Pd site, Pd is bonded in a distorted water-like geometry to two equivalent B atoms. There are one shorter (2.18 Å) and one longer (2.20 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to six Pd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-20517

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; BPd3; B-Pd

OSTI Identifier:: 1195648

DOI:: https://doi.org/10.17188/1195648

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                    The Materials Project. Materials Data on BPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195648.

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                    The Materials Project. Materials Data on BPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195648

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                    The Materials Project. 2020.  
"Materials Data on BPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195648.  https://www.osti.gov/servlets/purl/1195648. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195648,

  title        = {Materials Data on BPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pd3B sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 150 degrees geometry to two equivalent B atoms. There are one shorter (2.17 Å) and one longer (2.22 Å) Pd–B bond lengths. In the second Pd site, Pd is bonded in a distorted water-like geometry to two equivalent B atoms. There are one shorter (2.18 Å) and one longer (2.20 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to six Pd atoms.},

  doi          = {10.17188/1195648},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195648

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