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Title: Materials Data on Na2PtO6 by Materials Project

Abstract

Na2PtO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four equivalent ONa2PtO tetrahedra, edges with three equivalent NaO6 octahedra, and edges with three equivalent PtO6 octahedra. There are a spread of Na–O bond distances ranging from 2.36–2.68 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share corners with four equivalent ONa2PtO tetrahedra and edges with six equivalent NaO6 octahedra. There is two shorter (1.88 Å) and four longer (2.09 Å) Pt–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one Pt atom. In the second O site, O is bonded to two equivalent Na, one Pt, and one O atom to form distorted ONa2PtO tetrahedra that share a cornercorner with one PtO6 octahedra, corners with two equivalent NaO6 octahedra, corners with five equivalent ONa2PtO tetrahedra, and edges with two equivalent ONa2PtO tetrahedra. The corner-sharing octahedra tilt angles range from 45–69°. The O–O bond length is 1.40 Å.

Publication Date:
Other Number(s):
mp-1180241
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; Na2PtO6; Na-O-Pt
OSTI Identifier:
1759226
DOI:
https://doi.org/10.17188/1759226

Citation Formats

The Materials Project. Materials Data on Na2PtO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759226.
The Materials Project. Materials Data on Na2PtO6 by Materials Project. United States. doi:https://doi.org/10.17188/1759226
The Materials Project. 2020. "Materials Data on Na2PtO6 by Materials Project". United States. doi:https://doi.org/10.17188/1759226. https://www.osti.gov/servlets/purl/1759226. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759226,
title = {Materials Data on Na2PtO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PtO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four equivalent ONa2PtO tetrahedra, edges with three equivalent NaO6 octahedra, and edges with three equivalent PtO6 octahedra. There are a spread of Na–O bond distances ranging from 2.36–2.68 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share corners with four equivalent ONa2PtO tetrahedra and edges with six equivalent NaO6 octahedra. There is two shorter (1.88 Å) and four longer (2.09 Å) Pt–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one Pt atom. In the second O site, O is bonded to two equivalent Na, one Pt, and one O atom to form distorted ONa2PtO tetrahedra that share a cornercorner with one PtO6 octahedra, corners with two equivalent NaO6 octahedra, corners with five equivalent ONa2PtO tetrahedra, and edges with two equivalent ONa2PtO tetrahedra. The corner-sharing octahedra tilt angles range from 45–69°. The O–O bond length is 1.40 Å.},
doi = {10.17188/1759226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}