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Title: Materials Data on Na2PtO3 by Materials Project

Abstract

Na2PtO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Na–O bond distances ranging from 2.23–2.58 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Na–O bond distances ranging from 2.31–2.41 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with two equivalent PtO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Pt–O bond distances ranging from 2.05–2.23 Å.more » There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 7–15°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of edge and corner-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 4–8°.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-38017
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; Na2PtO3; Na-O-Pt
OSTI Identifier:
1207455
DOI:
10.17188/1207455

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2PtO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207455.
Persson, Kristin, & Project, Materials. Materials Data on Na2PtO3 by Materials Project. United States. doi:10.17188/1207455.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2PtO3 by Materials Project". United States. doi:10.17188/1207455. https://www.osti.gov/servlets/purl/1207455. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1207455,
title = {Materials Data on Na2PtO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2PtO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Na–O bond distances ranging from 2.23–2.58 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Na–O bond distances ranging from 2.31–2.41 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with two equivalent PtO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Pt–O bond distances ranging from 2.05–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 7–15°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of edge and corner-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 4–8°.},
doi = {10.17188/1207455},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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