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Title: Materials Data on RhC4N(Cl2O)2 by Materials Project

Abstract

RhO2Cl3C4NCl crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two RhO2Cl3 clusters and two C4NCl ribbons oriented in the (1, 0, 0) direction. In each RhO2Cl3 cluster, Rh3+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent O2- and three Cl1- atoms. Both Rh–O bond lengths are 1.74 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Rh–Cl bond lengths. O2- is bonded in a single-bond geometry to one Rh3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In each C4NCl ribbon, there are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.62 Å. In the second C2+ site, C2+ is bonded in a distorted bent 120 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.63 Å. The C–Cl bond length is 2.05 Å. N3- is bonded in a 4-coordinate geometry to four C2+more » atoms. Cl1- is bonded in a linear geometry to two equivalent C2+ atoms.« less

Publication Date:
Other Number(s):
mp-1191088
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; RhC4N(Cl2O)2; C-Cl-N-O-Rh
OSTI Identifier:
1741905
DOI:
https://doi.org/10.17188/1741905

Citation Formats

The Materials Project. Materials Data on RhC4N(Cl2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741905.
The Materials Project. Materials Data on RhC4N(Cl2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1741905
The Materials Project. 2020. "Materials Data on RhC4N(Cl2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1741905. https://www.osti.gov/servlets/purl/1741905. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1741905,
title = {Materials Data on RhC4N(Cl2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RhO2Cl3C4NCl crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two RhO2Cl3 clusters and two C4NCl ribbons oriented in the (1, 0, 0) direction. In each RhO2Cl3 cluster, Rh3+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent O2- and three Cl1- atoms. Both Rh–O bond lengths are 1.74 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Rh–Cl bond lengths. O2- is bonded in a single-bond geometry to one Rh3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In each C4NCl ribbon, there are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.62 Å. In the second C2+ site, C2+ is bonded in a distorted bent 120 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.63 Å. The C–Cl bond length is 2.05 Å. N3- is bonded in a 4-coordinate geometry to four C2+ atoms. Cl1- is bonded in a linear geometry to two equivalent C2+ atoms.},
doi = {10.17188/1741905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}