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Title: Materials Data on Pt(NCl)2 by Materials Project

Abstract

Pt(NCl)2 crystallizes in the tetragonal P4/m space group. The structure is one-dimensional and consists of one Pt(NCl)2 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a square co-planar geometry to two equivalent Pt2+ and four equivalent Cl1- atoms. Both Pt–Pt bond lengths are 2.58 Å. All Pt–Cl bond lengths are 2.47 Å. In the second Pt2+ site, Pt2+ is bonded in a linear geometry to two equivalent Pt2+ atoms. N is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.58 Å. Cl1- is bonded in a bent 120 degrees geometry to one Pt2+ and one N atom.

Publication Date:
Other Number(s):
mp-1079262
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; Pt(NCl)2; Cl-N-Pt
OSTI Identifier:
1710062
DOI:
https://doi.org/10.17188/1710062

Citation Formats

The Materials Project. Materials Data on Pt(NCl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710062.
The Materials Project. Materials Data on Pt(NCl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1710062
The Materials Project. 2020. "Materials Data on Pt(NCl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1710062. https://www.osti.gov/servlets/purl/1710062. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710062,
title = {Materials Data on Pt(NCl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt(NCl)2 crystallizes in the tetragonal P4/m space group. The structure is one-dimensional and consists of one Pt(NCl)2 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a square co-planar geometry to two equivalent Pt2+ and four equivalent Cl1- atoms. Both Pt–Pt bond lengths are 2.58 Å. All Pt–Cl bond lengths are 2.47 Å. In the second Pt2+ site, Pt2+ is bonded in a linear geometry to two equivalent Pt2+ atoms. N is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.58 Å. Cl1- is bonded in a bent 120 degrees geometry to one Pt2+ and one N atom.},
doi = {10.17188/1710062},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}