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Title: Materials Data on RePtN5Cl8O by Materials Project

Abstract

ReCl6PtN3OClN2Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, four N2Cl clusters, and four PtN3OCl clusters. In each N2Cl cluster, N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.54 Å. Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In each PtN3OCl cluster, Pt2+ is bonded in a 4-coordinate geometry to three N+0.20+ and one Cl1- atom. There is one shorter (1.86 Å) and two longer (2.00 Å) Pt–N bond length. The Pt–Cl bond length is 2.41 Å. There are two inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ and one O2- atom. The N–O bond length is 1.35 Å. O2- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.

Publication Date:
Other Number(s):
mp-1199902
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; RePtN5Cl8O; Cl-N-O-Pt-Re
OSTI Identifier:
1746881
DOI:
https://doi.org/10.17188/1746881

Citation Formats

The Materials Project. Materials Data on RePtN5Cl8O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746881.
The Materials Project. Materials Data on RePtN5Cl8O by Materials Project. United States. doi:https://doi.org/10.17188/1746881
The Materials Project. 2020. "Materials Data on RePtN5Cl8O by Materials Project". United States. doi:https://doi.org/10.17188/1746881. https://www.osti.gov/servlets/purl/1746881. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746881,
title = {Materials Data on RePtN5Cl8O by Materials Project},
author = {The Materials Project},
abstractNote = {ReCl6PtN3OClN2Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, four N2Cl clusters, and four PtN3OCl clusters. In each N2Cl cluster, N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.54 Å. Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In each PtN3OCl cluster, Pt2+ is bonded in a 4-coordinate geometry to three N+0.20+ and one Cl1- atom. There is one shorter (1.86 Å) and two longer (2.00 Å) Pt–N bond length. The Pt–Cl bond length is 2.41 Å. There are two inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ and one O2- atom. The N–O bond length is 1.35 Å. O2- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.},
doi = {10.17188/1746881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}