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

Title: Materials Data on CrPdBr4N5Cl by Materials Project

Abstract

PdCrN5Cl(Br)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules, four palladium molecules, and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N3- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.21 Å) Cr–N bond length. The Cr–Cl bond length is 2.16 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the second N3- site, N3- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N3- atoms. Both N–N bond lengths are 1.20 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1203543
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; CrPdBr4N5Cl; Br-Cl-Cr-N-Pd
OSTI Identifier:
1652202
DOI:
https://doi.org/10.17188/1652202

Citation Formats

The Materials Project. Materials Data on CrPdBr4N5Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652202.
The Materials Project. Materials Data on CrPdBr4N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1652202
The Materials Project. 2020. "Materials Data on CrPdBr4N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1652202. https://www.osti.gov/servlets/purl/1652202. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1652202,
title = {Materials Data on CrPdBr4N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {PdCrN5Cl(Br)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules, four palladium molecules, and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N3- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.21 Å) Cr–N bond length. The Cr–Cl bond length is 2.16 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the second N3- site, N3- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N3- atoms. Both N–N bond lengths are 1.20 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1652202},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}