Materials Data on Na2PtO3 by Materials Project

doi:10.17188/1271696

Title: Materials Data on Na2PtO3 by Materials Project

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Abstract

Na2PtO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. There are a spread of Na–O bond distances ranging from 2.29–2.39 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent PtO6 octahedra, edges with four equivalent PtO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are a spread of Na–O bond distances ranging from 2.35–2.47 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent PtO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are two shorter (2.08 Å) and four longer (2.09 Å) Pt–O bond lengths. There are twomore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-560860

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; Na2PtO3; Na-O-Pt

OSTI Identifier:: 1271696

DOI:: https://doi.org/10.17188/1271696

Citation Formats


                    The Materials Project. Materials Data on Na2PtO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271696.

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                    The Materials Project. Materials Data on Na2PtO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271696

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                    The Materials Project. 2020.  
"Materials Data on Na2PtO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271696.  https://www.osti.gov/servlets/purl/1271696. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1271696,

  title        = {Materials Data on Na2PtO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2PtO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. There are a spread of Na–O bond distances ranging from 2.29–2.39 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent PtO6 octahedra, edges with four equivalent PtO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are a spread of Na–O bond distances ranging from 2.35–2.47 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent PtO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are two shorter (2.08 Å) and four longer (2.09 Å) Pt–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of corner and edge-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of corner and edge-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 5–9°.},

  doi          = {10.17188/1271696},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271696

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