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Title: Materials Data on H9PtN2ClO2 by Materials Project

Abstract

PtN2H7OClH2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four water molecules and four PtN2H7OCl clusters. In each PtN2H7OCl cluster, Pt2+ is bonded in a rectangular see-saw-like geometry to two N3-, one O2-, and one Cl1- atom. Both Pt–N bond lengths are 2.06 Å. The Pt–O bond length is 2.05 Å. The Pt–Cl bond length is 2.32 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are seven 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry tomore » one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a distorted single-bond geometry to one Pt2+ and one H1+ atom. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-733598
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; H9PtN2ClO2; Cl-H-N-O-Pt
OSTI Identifier:
1287690
DOI:
10.17188/1287690

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H9PtN2ClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287690.
Persson, Kristin, & Project, Materials. Materials Data on H9PtN2ClO2 by Materials Project. United States. doi:10.17188/1287690.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on H9PtN2ClO2 by Materials Project". United States. doi:10.17188/1287690. https://www.osti.gov/servlets/purl/1287690. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287690,
title = {Materials Data on H9PtN2ClO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PtN2H7OClH2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four water molecules and four PtN2H7OCl clusters. In each PtN2H7OCl cluster, Pt2+ is bonded in a rectangular see-saw-like geometry to two N3-, one O2-, and one Cl1- atom. Both Pt–N bond lengths are 2.06 Å. The Pt–O bond length is 2.05 Å. The Pt–Cl bond length is 2.32 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are seven 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a distorted single-bond geometry to one Pt2+ and one H1+ atom. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.},
doi = {10.17188/1287690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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