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

Title: Materials Data on PtN3O4 by Materials Project

Abstract

(PtON1)3N2NONO2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four nitric acid molecules, two nitrous acid molecules, two nitroxyl molecules, and two PtON1 clusters. In each PtON1 cluster, there are three inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a 3-coordinate geometry to one N1+ and two O2- atoms. The Pt–N bond length is 1.75 Å. There are one shorter (1.94 Å) and one longer (2.10 Å) Pt–O bond lengths. In the second Pt5+ site, Pt5+ is bonded in a distorted T-shaped geometry to one N1+ and two O2- atoms. The Pt–N bond length is 1.74 Å. There are one shorter (1.89 Å) and one longer (2.14 Å) Pt–O bond lengths. In the third Pt5+ site, Pt5+ is bonded in a T-shaped geometry to one N1+ and two O2- atoms. The Pt–N bond length is 1.72 Å. There is one shorter (1.86 Å) and one longer (2.04 Å) Pt–O bond length. There are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one Pt5+ atom. In the second N1+ site, N1+ is bonded in a single-bond geometry to onemore » Pt5+ atom. In the third N1+ site, N1+ is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pt5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Pt5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1204078
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; PtN3O4; N-O-Pt
OSTI Identifier:
1698612
DOI:
https://doi.org/10.17188/1698612

Citation Formats

The Materials Project. Materials Data on PtN3O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698612.
The Materials Project. Materials Data on PtN3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1698612
The Materials Project. 2020. "Materials Data on PtN3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1698612. https://www.osti.gov/servlets/purl/1698612. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1698612,
title = {Materials Data on PtN3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {(PtON1)3N2NONO2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four nitric acid molecules, two nitrous acid molecules, two nitroxyl molecules, and two PtON1 clusters. In each PtON1 cluster, there are three inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a 3-coordinate geometry to one N1+ and two O2- atoms. The Pt–N bond length is 1.75 Å. There are one shorter (1.94 Å) and one longer (2.10 Å) Pt–O bond lengths. In the second Pt5+ site, Pt5+ is bonded in a distorted T-shaped geometry to one N1+ and two O2- atoms. The Pt–N bond length is 1.74 Å. There are one shorter (1.89 Å) and one longer (2.14 Å) Pt–O bond lengths. In the third Pt5+ site, Pt5+ is bonded in a T-shaped geometry to one N1+ and two O2- atoms. The Pt–N bond length is 1.72 Å. There is one shorter (1.86 Å) and one longer (2.04 Å) Pt–O bond length. There are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one Pt5+ atom. In the second N1+ site, N1+ is bonded in a single-bond geometry to one Pt5+ atom. In the third N1+ site, N1+ is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pt5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Pt5+ atoms.},
doi = {10.17188/1698612},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}