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

Abstract

Pt(NCl)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Pt(NCl)2 sheet oriented in the (-1, 1, 0) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a distorted linear geometry to two equivalent N and four Cl1- atoms. Both Pt–N bond lengths are 1.75 Å. There are two shorter (2.47 Å) and two longer (2.75 Å) Pt–Cl bond lengths. In the second Pt2+ site, Pt2+ is bonded in a distorted rectangular see-saw-like geometry to four N atoms. There is two shorter (1.91 Å) and two longer (1.96 Å) Pt–N bond length. There are two inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one Pt2+ and two equivalent Cl1- atoms. There are one shorter (2.43 Å) and one longer (2.74 Å) N–Cl bond lengths. In the second N site, N is bonded in a distorted linear geometry to two Pt2+ and one Cl1- atom. The N–Cl bond length is 2.18 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one Pt2+, one N, and one Cl1- atom.more » The Cl–Cl bond length is 2.26 Å. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one Pt2+, two equivalent N, and one Cl1- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1078605
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; Pt(NCl)2; Cl-N-Pt
OSTI Identifier:
1717058
DOI:
https://doi.org/10.17188/1717058

Citation Formats

The Materials Project. Materials Data on Pt(NCl)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1717058.
The Materials Project. Materials Data on Pt(NCl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717058
The Materials Project. 2018. "Materials Data on Pt(NCl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717058. https://www.osti.gov/servlets/purl/1717058. Pub date:Thu Apr 12 00:00:00 EDT 2018
@article{osti_1717058,
title = {Materials Data on Pt(NCl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt(NCl)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Pt(NCl)2 sheet oriented in the (-1, 1, 0) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a distorted linear geometry to two equivalent N and four Cl1- atoms. Both Pt–N bond lengths are 1.75 Å. There are two shorter (2.47 Å) and two longer (2.75 Å) Pt–Cl bond lengths. In the second Pt2+ site, Pt2+ is bonded in a distorted rectangular see-saw-like geometry to four N atoms. There is two shorter (1.91 Å) and two longer (1.96 Å) Pt–N bond length. There are two inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one Pt2+ and two equivalent Cl1- atoms. There are one shorter (2.43 Å) and one longer (2.74 Å) N–Cl bond lengths. In the second N site, N is bonded in a distorted linear geometry to two Pt2+ and one Cl1- atom. The N–Cl bond length is 2.18 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one Pt2+, one N, and one Cl1- atom. The Cl–Cl bond length is 2.26 Å. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one Pt2+, two equivalent N, and one Cl1- atom.},
doi = {10.17188/1717058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {4}
}