Materials Data on LiPtO2 by Materials Project

doi:10.17188/1738059

Title: Materials Data on LiPtO2 by Materials Project

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Abstract

LiPtO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six PtO6 octahedra, edges with six LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are a spread of Li–O bond distances ranging from 2.12–2.35 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six PtO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are two shorter (2.20 Å) and four longer (2.34 Å) Li–O bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six O atoms to form PtO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Pt–O bond distances ranging from 2.08–2.18 Å. In the second Pt site, Pt ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1211074

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; LiPtO2; Li-O-Pt

OSTI Identifier:: 1738059

DOI:: https://doi.org/10.17188/1738059

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                    The Materials Project. Materials Data on LiPtO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738059.

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                    The Materials Project. Materials Data on LiPtO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738059

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                    The Materials Project. 2020.  
"Materials Data on LiPtO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738059.  https://www.osti.gov/servlets/purl/1738059. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738059,

  title        = {Materials Data on LiPtO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiPtO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six PtO6 octahedra, edges with six LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are a spread of Li–O bond distances ranging from 2.12–2.35 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six PtO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are two shorter (2.20 Å) and four longer (2.34 Å) Li–O bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six O atoms to form PtO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Pt–O bond distances ranging from 2.08–2.18 Å. In the second Pt site, Pt is bonded to six O atoms to form distorted PtO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. There are four shorter (2.26 Å) and two longer (2.33 Å) Pt–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to three Li and three Pt atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to three Li and three Pt atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.},

  doi          = {10.17188/1738059},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738059

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