Materials Data on Li2PtO6 by Materials Project

doi:10.17188/1663791

Title: Materials Data on Li2PtO6 by Materials Project

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Abstract

Li2PtO6 is trigonal omega-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Li2PtO6 sheet oriented in the (0, 0, 1) direction. Li is bonded to six O atoms to form LiO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent PtO6 octahedra. There are a spread of Li–O bond distances ranging from 2.16–2.18 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share edges with six equivalent LiO6 octahedra. There is one shorter (1.92 Å) and five longer (1.93 Å) Pt–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1180647

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; Li2PtO6; Li-O-Pt

OSTI Identifier:: 1663791

DOI:: https://doi.org/10.17188/1663791

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                    The Materials Project. Materials Data on Li2PtO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663791.

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                    The Materials Project. Materials Data on Li2PtO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663791

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                    The Materials Project. 2020.  
"Materials Data on Li2PtO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663791.  https://www.osti.gov/servlets/purl/1663791. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1663791,

  title        = {Materials Data on Li2PtO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2PtO6 is trigonal omega-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Li2PtO6 sheet oriented in the (0, 0, 1) direction. Li is bonded to six O atoms to form LiO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent PtO6 octahedra. There are a spread of Li–O bond distances ranging from 2.16–2.18 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share edges with six equivalent LiO6 octahedra. There is one shorter (1.92 Å) and five longer (1.93 Å) Pt–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom.},

  doi          = {10.17188/1663791},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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