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

Abstract

Pd(NCl)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Pd(NCl)2 ribbon oriented in the (0, 1, 0) direction. Pd2+ is bonded in a 3-coordinate geometry to two N and one Cl1- atom. There is one shorter (1.83 Å) and one longer (1.89 Å) Pd–N bond length. The Pd–Cl bond length is 2.56 Å. There are two inequivalent N sites. In the first N site, N is bonded in a bent 150 degrees geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.63 Å. In the second N site, N is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.65 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one N atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom.

Publication Date:
Other Number(s):
mp-1069193
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; Pd(NCl)2; Cl-N-Pd
OSTI Identifier:
1723226
DOI:
https://doi.org/10.17188/1723226

Citation Formats

The Materials Project. Materials Data on Pd(NCl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723226.
The Materials Project. Materials Data on Pd(NCl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723226
The Materials Project. 2020. "Materials Data on Pd(NCl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723226. https://www.osti.gov/servlets/purl/1723226. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1723226,
title = {Materials Data on Pd(NCl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd(NCl)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Pd(NCl)2 ribbon oriented in the (0, 1, 0) direction. Pd2+ is bonded in a 3-coordinate geometry to two N and one Cl1- atom. There is one shorter (1.83 Å) and one longer (1.89 Å) Pd–N bond length. The Pd–Cl bond length is 2.56 Å. There are two inequivalent N sites. In the first N site, N is bonded in a bent 150 degrees geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.63 Å. In the second N site, N is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.65 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one N atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1723226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}