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Title: Materials Data on H12PtN6(ClO3)2 by Materials Project

Abstract

Pt(NH3)4Cl2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and one Pt(NH3)4Cl2 cluster. In the Pt(NH3)4Cl2 cluster, Pt4+ is bonded in an octahedral geometry to four N+0.33- and two equivalent Cl1- atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Pt–N bond lengths. Both Pt–Cl bond lengths are 2.34 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is one shorter (1.03 Å) and two longer (1.04 Å) N–H bond length. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the fourth H1+ site, H1+ ismore » bonded in a single-bond geometry to one N+0.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. Cl1- is bonded in a single-bond geometry to one Pt4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-722864
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; H12PtN6(ClO3)2; Cl-H-N-O-Pt
OSTI Identifier:
1287517
DOI:
10.17188/1287517

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H12PtN6(ClO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287517.
Persson, Kristin, & Project, Materials. Materials Data on H12PtN6(ClO3)2 by Materials Project. United States. doi:10.17188/1287517.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on H12PtN6(ClO3)2 by Materials Project". United States. doi:10.17188/1287517. https://www.osti.gov/servlets/purl/1287517. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287517,
title = {Materials Data on H12PtN6(ClO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pt(NH3)4Cl2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and one Pt(NH3)4Cl2 cluster. In the Pt(NH3)4Cl2 cluster, Pt4+ is bonded in an octahedral geometry to four N+0.33- and two equivalent Cl1- atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Pt–N bond lengths. Both Pt–Cl bond lengths are 2.34 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is one shorter (1.03 Å) and two longer (1.04 Å) N–H bond length. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. Cl1- is bonded in a single-bond geometry to one Pt4+ atom.},
doi = {10.17188/1287517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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