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Title: Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project

Abstract

Na2PtC4H4Br2(N2O)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to four N3- and two equivalent O2- atoms to form distorted face-sharing NaN4O2 octahedra. There are a spread of Na–N bond distances ranging from 2.52–2.72 Å. There are one shorter (2.42 Å) and one longer (2.44 Å) Na–O bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two Br1- atoms. All Pt–C bond lengths are 2.02 Å. There are one shorter (2.52 Å) and one longer (2.53 Å) Pt–Br bond lengths. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. There are two inequivalent H1+ sites.more » In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-706285
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; Na2H4PtC4Br2(N2O)2; Br-C-H-N-Na-O-Pt
OSTI Identifier:
1286154
DOI:
https://doi.org/10.17188/1286154

Citation Formats

The Materials Project. Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286154.
The Materials Project. Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1286154
The Materials Project. 2020. "Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1286154. https://www.osti.gov/servlets/purl/1286154. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1286154,
title = {Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PtC4H4Br2(N2O)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to four N3- and two equivalent O2- atoms to form distorted face-sharing NaN4O2 octahedra. There are a spread of Na–N bond distances ranging from 2.52–2.72 Å. There are one shorter (2.42 Å) and one longer (2.44 Å) Na–O bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two Br1- atoms. All Pt–C bond lengths are 2.02 Å. There are one shorter (2.52 Å) and one longer (2.53 Å) Pt–Br bond lengths. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom.},
doi = {10.17188/1286154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}