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Title: Materials Data on CrPtBr4N5Cl by Materials Project

Abstract

CrN5ClPtBr4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four platinum(iv) bromide molecules and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N+1.40- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.19 Å) Cr–N bond length. The Cr–Cl bond length is 2.15 Å. There are three inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a single-bond geometry to one Cr6+ atom. In the second N+1.40- site, N+1.40- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N+1.40- atoms. Both N–N bond lengths are 1.21 Å. In the third N+1.40- site, N+1.40- is bonded in a 1-coordinate geometry to one N+1.40- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.

Publication Date:
Other Number(s):
mp-1214330
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; CrPtBr4N5Cl; Br-Cl-Cr-N-Pt
OSTI Identifier:
1751209
DOI:
https://doi.org/10.17188/1751209

Citation Formats

The Materials Project. Materials Data on CrPtBr4N5Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751209.
The Materials Project. Materials Data on CrPtBr4N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1751209
The Materials Project. 2020. "Materials Data on CrPtBr4N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1751209. https://www.osti.gov/servlets/purl/1751209. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751209,
title = {Materials Data on CrPtBr4N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {CrN5ClPtBr4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four platinum(iv) bromide molecules and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N+1.40- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.19 Å) Cr–N bond length. The Cr–Cl bond length is 2.15 Å. There are three inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a single-bond geometry to one Cr6+ atom. In the second N+1.40- site, N+1.40- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N+1.40- atoms. Both N–N bond lengths are 1.21 Å. In the third N+1.40- site, N+1.40- is bonded in a 1-coordinate geometry to one N+1.40- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1751209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}