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

Title: Materials Data on Pt5(N9Cl5)2 by Materials Project

Abstract

Pt3(N5Cl)2(Pt(NCl)4)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of four Pt(NCl)4 clusters and two Pt3(N5Cl)2 sheets oriented in the (0, 0, 1) direction. In each Pt(NCl)4 cluster, Pt+4.80+ is bonded in a tetrahedral geometry to four N+0.78- atoms. There is two shorter (1.75 Å) and two longer (2.22 Å) Pt–N bond length. There are two inequivalent N+0.78- sites. In the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a trigonal non-coplanar geometry to one Pt+4.80+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.73 Å. Cl1- is bonded in a single-bond geometry to one N+0.78- atom. In each Pt3(N5Cl)2 sheet, there are two inequivalent Pt+4.80+ sites. In the first Pt+4.80+ site, Pt+4.80+ is bonded in a square co-planar geometry to four equivalent N+0.78- atoms. All Pt–N bond lengths are 1.94 Å. In the second Pt+4.80+ site, Pt+4.80+ is bonded in a distorted octahedral geometry to five N+0.78- and one Cl1- atom. There are a spread of Pt–N bond distances ranging from 1.84–2.04 Å. The Pt–Cl bond length is 2.51 Å. There are three inequivalent N+0.78- sites. Inmore » the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a linear geometry to two Pt+4.80+ atoms. In the third N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. Cl1- is bonded in a 1-coordinate geometry to one Pt+4.80+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1180051
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; Pt5(N9Cl5)2; Cl-N-Pt
OSTI Identifier:
1719891
DOI:
https://doi.org/10.17188/1719891

Citation Formats

The Materials Project. Materials Data on Pt5(N9Cl5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1719891.
The Materials Project. Materials Data on Pt5(N9Cl5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1719891
The Materials Project. 2019. "Materials Data on Pt5(N9Cl5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1719891. https://www.osti.gov/servlets/purl/1719891. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1719891,
title = {Materials Data on Pt5(N9Cl5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt3(N5Cl)2(Pt(NCl)4)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of four Pt(NCl)4 clusters and two Pt3(N5Cl)2 sheets oriented in the (0, 0, 1) direction. In each Pt(NCl)4 cluster, Pt+4.80+ is bonded in a tetrahedral geometry to four N+0.78- atoms. There is two shorter (1.75 Å) and two longer (2.22 Å) Pt–N bond length. There are two inequivalent N+0.78- sites. In the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a trigonal non-coplanar geometry to one Pt+4.80+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.73 Å. Cl1- is bonded in a single-bond geometry to one N+0.78- atom. In each Pt3(N5Cl)2 sheet, there are two inequivalent Pt+4.80+ sites. In the first Pt+4.80+ site, Pt+4.80+ is bonded in a square co-planar geometry to four equivalent N+0.78- atoms. All Pt–N bond lengths are 1.94 Å. In the second Pt+4.80+ site, Pt+4.80+ is bonded in a distorted octahedral geometry to five N+0.78- and one Cl1- atom. There are a spread of Pt–N bond distances ranging from 1.84–2.04 Å. The Pt–Cl bond length is 2.51 Å. There are three inequivalent N+0.78- sites. In the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a linear geometry to two Pt+4.80+ atoms. In the third N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. Cl1- is bonded in a 1-coordinate geometry to one Pt+4.80+ atom.},
doi = {10.17188/1719891},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}