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

Abstract

Na3(Pt3O4)4 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are seven inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (2.50 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.49 Å. In the third Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.42 Å. In the fourth Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.42 Å. In the fifth Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.49 Å) Na–O bond lengths. In the sixth Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.49 Å. In the seventh Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49more » Å) and four longer (2.50 Å) Na–O bond lengths. There are seventeen inequivalent Pt+2.42+ sites. In the first Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the third Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fourth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fifth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the sixth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the seventh Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the eighth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the ninth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.03 Å. In the tenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the eleventh Pt+2.42+ site, 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 (2.05 Å) Pt–O bond lengths. In the twelfth Pt+2.42+ site, Pt+2.42+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the thirteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the fourteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fifteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.03 Å. In the sixteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the seventeenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONaPt3 trigonal pyramids. In the second O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONaPt3 trigonal pyramids. In the third O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONaPt3 trigonal pyramids. In the fourth O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form ONaPt3 trigonal pyramids that share corners with four equivalent ONa2Pt3 trigonal bipyramids, corners with six ONaPt3 trigonal pyramids, an edgeedge with one ONa2Pt3 trigonal bipyramid, and edges with two equivalent ONaPt3 trigonal pyramids. In the fifth O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONa2Pt3 trigonal bipyramids. In the sixth O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONa2Pt3 trigonal bipyramids. In the seventh O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONa2Pt3 trigonal bipyramids. In the eighth O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form ONa2Pt3 trigonal bipyramids that share corners with seven ONa2Pt3 trigonal bipyramids, corners with four equivalent ONaPt3 trigonal pyramids, edges with five ONa2Pt3 trigonal bipyramids, and an edgeedge with one ONaPt3 trigonal pyramid.« less

Publication Date:
Other Number(s):
mp-530998
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; Na3(Pt3O4)4; Na-O-Pt
OSTI Identifier:
1263287
DOI:
10.17188/1263287

Citation Formats

The Materials Project. Materials Data on Na3(Pt3O4)4 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1263287.
The Materials Project. Materials Data on Na3(Pt3O4)4 by Materials Project. United States. doi:10.17188/1263287.
The Materials Project. 2014. "Materials Data on Na3(Pt3O4)4 by Materials Project". United States. doi:10.17188/1263287. https://www.osti.gov/servlets/purl/1263287. Pub date:Wed Mar 05 00:00:00 EST 2014
@article{osti_1263287,
title = {Materials Data on Na3(Pt3O4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3(Pt3O4)4 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are seven inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (2.50 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.49 Å. In the third Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.42 Å. In the fourth Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.42 Å. In the fifth Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.49 Å) Na–O bond lengths. In the sixth Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.49 Å. In the seventh Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.50 Å) Na–O bond lengths. There are seventeen inequivalent Pt+2.42+ sites. In the first Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the third Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fourth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fifth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the sixth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the seventh Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the eighth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the ninth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.03 Å. In the tenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the eleventh Pt+2.42+ site, 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 (2.05 Å) Pt–O bond lengths. In the twelfth Pt+2.42+ site, Pt+2.42+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the thirteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the fourteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fifteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.03 Å. In the sixteenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the seventeenth Pt+2.42+ site, Pt+2.42+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONaPt3 trigonal pyramids. In the second O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONaPt3 trigonal pyramids. In the third O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONaPt3 trigonal pyramids. In the fourth O2- site, O2- is bonded to one Na1+ and three Pt+2.42+ atoms to form ONaPt3 trigonal pyramids that share corners with four equivalent ONa2Pt3 trigonal bipyramids, corners with six ONaPt3 trigonal pyramids, an edgeedge with one ONa2Pt3 trigonal bipyramid, and edges with two equivalent ONaPt3 trigonal pyramids. In the fifth O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONa2Pt3 trigonal bipyramids. In the sixth O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONa2Pt3 trigonal bipyramids. In the seventh O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form a mixture of corner and edge-sharing ONa2Pt3 trigonal bipyramids. In the eighth O2- site, O2- is bonded to two Na1+ and three Pt+2.42+ atoms to form ONa2Pt3 trigonal bipyramids that share corners with seven ONa2Pt3 trigonal bipyramids, corners with four equivalent ONaPt3 trigonal pyramids, edges with five ONa2Pt3 trigonal bipyramids, and an edgeedge with one ONaPt3 trigonal pyramid.},
doi = {10.17188/1263287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {3}
}

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