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Title: Materials Data on Li2PtF6 by Materials Project

Abstract

Li2PtF6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent PtF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one PtF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Li–F bond distances ranging from 2.05–2.08 Å. Pt4+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. All Pt–F bond lengths are 1.98 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom.

Publication Date:
Other Number(s):
mp-13986
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2PtF6; F-Li-Pt
OSTI Identifier:
1189861
DOI:
10.17188/1189861

Citation Formats

The Materials Project. Materials Data on Li2PtF6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1189861.
The Materials Project. Materials Data on Li2PtF6 by Materials Project. United States. doi:10.17188/1189861.
The Materials Project. 2017. "Materials Data on Li2PtF6 by Materials Project". United States. doi:10.17188/1189861. https://www.osti.gov/servlets/purl/1189861. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1189861,
title = {Materials Data on Li2PtF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PtF6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent PtF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one PtF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Li–F bond distances ranging from 2.05–2.08 Å. Pt4+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. All Pt–F bond lengths are 1.98 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom.},
doi = {10.17188/1189861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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