DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na3(Pt3O4)4 by Materials Project

Abstract

Na3(Pt3O4)4 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.50 Å) Na–O bond lengths. Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Pt–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Na1+ and three equivalent Pt+2.42+ atoms to form ONa2Pt3 trigonal bipyramids that share corners with seven equivalent ONa2Pt3 trigonal bipyramids, corners with four equivalent ONaPt3 trigonal pyramids, edges with three equivalent ONa2Pt3 trigonal bipyramids, and edges with three equivalent ONaPt3 trigonal pyramids. In the second O2- site, O2- is bonded to one Na1+ and three equivalent Pt+2.42+ atoms to form ONaPt3 trigonal pyramids that share corners with four equivalent ONa2Pt3 trigonal bipyramids, corners with six equivalent ONaPt3 trigonal pyramids, and edges with three equivalentmore » ONa2Pt3 trigonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-867673
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; Na3(Pt3O4)4; Na-O-Pt
OSTI Identifier:
1312105
DOI:
https://doi.org/10.17188/1312105

Citation Formats

The Materials Project. Materials Data on Na3(Pt3O4)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312105.
The Materials Project. Materials Data on Na3(Pt3O4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1312105
The Materials Project. 2020. "Materials Data on Na3(Pt3O4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1312105. https://www.osti.gov/servlets/purl/1312105. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1312105,
title = {Materials Data on Na3(Pt3O4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3(Pt3O4)4 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.50 Å) Na–O bond lengths. Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Pt–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Na1+ and three equivalent Pt+2.42+ atoms to form ONa2Pt3 trigonal bipyramids that share corners with seven equivalent ONa2Pt3 trigonal bipyramids, corners with four equivalent ONaPt3 trigonal pyramids, edges with three equivalent ONa2Pt3 trigonal bipyramids, and edges with three equivalent ONaPt3 trigonal pyramids. In the second O2- site, O2- is bonded to one Na1+ and three equivalent Pt+2.42+ atoms to form ONaPt3 trigonal pyramids that share corners with four equivalent ONa2Pt3 trigonal bipyramids, corners with six equivalent ONaPt3 trigonal pyramids, and edges with three equivalent ONa2Pt3 trigonal bipyramids.},
doi = {10.17188/1312105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}