Materials Data on Zn2PtO4 by Materials Project

doi:10.17188/1207022

Title: Materials Data on Zn2PtO4 by Materials Project

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Abstract

Zn2PtO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent PtO6 octahedra, and edges with four equivalent ZnO6 octahedra. There are two shorter (2.05 Å) and four longer (2.06 Å) Pt–O bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six equivalent PtO6 octahedra and corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are two shorter (1.97 Å) and two longer (2.10 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and edges with four equivalent PtO6 octahedra. There are four shorter (2.08 Å) and two longer (2.22 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pt4+ and three Zn2+ atoms to form a mixture of distorted cornermore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-35647

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; Zn2PtO4; O-Pt-Zn

OSTI Identifier:: 1207022

DOI:: https://doi.org/10.17188/1207022

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                    The Materials Project. Materials Data on Zn2PtO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207022.

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                    The Materials Project. Materials Data on Zn2PtO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207022

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                    The Materials Project. 2020.  
"Materials Data on Zn2PtO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207022.  https://www.osti.gov/servlets/purl/1207022. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1207022,

  title        = {Materials Data on Zn2PtO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn2PtO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent PtO6 octahedra, and edges with four equivalent ZnO6 octahedra. There are two shorter (2.05 Å) and four longer (2.06 Å) Pt–O bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six equivalent PtO6 octahedra and corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are two shorter (1.97 Å) and two longer (2.10 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and edges with four equivalent PtO6 octahedra. There are four shorter (2.08 Å) and two longer (2.22 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pt4+ and three Zn2+ atoms to form a mixture of distorted corner and edge-sharing OZn3Pt trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pt4+ and two Zn2+ atoms.},

  doi          = {10.17188/1207022},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207022

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