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Title: Materials Data on PtC4(NCl3)2 by Materials Project

Abstract

PtC4(NCl3)2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtC4(NCl3)2 ribbons oriented in the (1, 0, 0) direction. Pt2- is bonded in an octahedral geometry to six Cl1- atoms. All Pt–Cl bond lengths are 2.35 Å. C+3.50+ is bonded in a distorted single-bond geometry to one N3- and two equivalent Cl1- atoms. The C–N bond length is 1.25 Å. Both C–Cl bond lengths are 2.61 Å. N3- is bonded in a linear geometry to two equivalent C+3.50+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pt2- and two equivalent C+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1103760
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; PtC4(NCl3)2; C-Cl-N-Pt
OSTI Identifier:
1683722
DOI:
https://doi.org/10.17188/1683722

Citation Formats

The Materials Project. Materials Data on PtC4(NCl3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683722.
The Materials Project. Materials Data on PtC4(NCl3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1683722
The Materials Project. 2020. "Materials Data on PtC4(NCl3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1683722. https://www.osti.gov/servlets/purl/1683722. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683722,
title = {Materials Data on PtC4(NCl3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PtC4(NCl3)2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtC4(NCl3)2 ribbons oriented in the (1, 0, 0) direction. Pt2- is bonded in an octahedral geometry to six Cl1- atoms. All Pt–Cl bond lengths are 2.35 Å. C+3.50+ is bonded in a distorted single-bond geometry to one N3- and two equivalent Cl1- atoms. The C–N bond length is 1.25 Å. Both C–Cl bond lengths are 2.61 Å. N3- is bonded in a linear geometry to two equivalent C+3.50+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pt2- and two equivalent C+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom.},
doi = {10.17188/1683722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}