Materials Data on Na4H4PdPt by Materials Project

doi:10.17188/1748394

Title: Materials Data on Na4H4PdPt by Materials Project

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Abstract

Na4PtPdH4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of edge and corner-sharing NaH5 square pyramids. There are one shorter (2.40 Å) and four longer (2.58 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of distorted edge and corner-sharing NaH5 square pyramids. There are one shorter (2.42 Å) and four longer (2.58 Å) Na–H bond lengths. Pt2- is bonded in a linear geometry to two equivalent H1- atoms. Both Pt–H bond lengths are 1.67 Å. Pd2+ is bonded in a linear geometry to two equivalent H1- atoms. Both Pd–H bond lengths are 1.70 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to five Na1+ and one Pt2- atom to form a mixture of edge and corner-sharing HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second H1- site, H1- is bonded to five Na1+ and one Pd2+ atom to form HNa5Pd octahedra that share corners with five equivalent HNa5Pd octahedra and edges withmore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1221165

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; Na4H4PdPt; H-Na-Pd-Pt

OSTI Identifier:: 1748394

DOI:: https://doi.org/10.17188/1748394

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                    The Materials Project. Materials Data on Na4H4PdPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748394.

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                    The Materials Project. Materials Data on Na4H4PdPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1748394

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                    The Materials Project. 2020.  
"Materials Data on Na4H4PdPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1748394.  https://www.osti.gov/servlets/purl/1748394. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1748394,

  title        = {Materials Data on Na4H4PdPt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4PtPdH4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of edge and corner-sharing NaH5 square pyramids. There are one shorter (2.40 Å) and four longer (2.58 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of distorted edge and corner-sharing NaH5 square pyramids. There are one shorter (2.42 Å) and four longer (2.58 Å) Na–H bond lengths. Pt2- is bonded in a linear geometry to two equivalent H1- atoms. Both Pt–H bond lengths are 1.67 Å. Pd2+ is bonded in a linear geometry to two equivalent H1- atoms. Both Pd–H bond lengths are 1.70 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to five Na1+ and one Pt2- atom to form a mixture of edge and corner-sharing HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second H1- site, H1- is bonded to five Na1+ and one Pd2+ atom to form HNa5Pd octahedra that share corners with five equivalent HNa5Pd octahedra and edges with eight HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–6°.},

  doi          = {10.17188/1748394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1748394

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