Materials Data on SrH3Pd by Materials Project

doi:10.17188/1745160

Title: Materials Data on SrH3Pd by Materials Project

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Abstract

SrPdH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent H atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with eight equivalent PdH6 octahedra. All Sr–H bond lengths are 2.72 Å. Pd is bonded to six equivalent H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra and faces with eight equivalent SrH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 1.92 Å. H is bonded to four equivalent Sr and two equivalent Pd atoms to form a mixture of corner, edge, and face-sharing HSr4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1207079

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; SrH3Pd; H-Pd-Sr

OSTI Identifier:: 1745160

DOI:: https://doi.org/10.17188/1745160

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                    The Materials Project. Materials Data on SrH3Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745160.

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                    The Materials Project. Materials Data on SrH3Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1745160

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                    The Materials Project. 2020.  
"Materials Data on SrH3Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1745160.  https://www.osti.gov/servlets/purl/1745160. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1745160,

  title        = {Materials Data on SrH3Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrPdH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent H atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with eight equivalent PdH6 octahedra. All Sr–H bond lengths are 2.72 Å. Pd is bonded to six equivalent H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra and faces with eight equivalent SrH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 1.92 Å. H is bonded to four equivalent Sr and two equivalent Pd atoms to form a mixture of corner, edge, and face-sharing HSr4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1745160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745160

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