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Title: Materials Data on ReRhBr6N5Cl by Materials Project

Abstract

ReRhN5Cl(Br)6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of twenty-four hydrobromic acid molecules; four rhenium molecules; one RhN5Cl cluster; and one RhN5Cl ribbon oriented in the (1, 0, 0) direction. In the RhN5Cl cluster, Rh3+ is bonded in a 5-coordinate geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.70–2.01 Å. The Rh–Cl bond length is 2.68 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rh3+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.84 Å. In the third N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.82 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.84 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and two equivalent Cl1- atoms. There are one shorter (2.88 Å) andmore » one longer (3.62 Å) N–Cl bond lengths. Cl1- is bonded in a 1-coordinate geometry to one Rh3+ and five N3- atoms. In the RhN5Cl ribbon, Rh3+ is bonded in a 5-coordinate geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.70–2.01 Å. The Rh–Cl bond length is 2.64 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rh3+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.80 Å. In the third N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.25 Å) N–Cl bond lengths. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.82 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.36 Å) N–Cl bond lengths. Cl1- is bonded to one Rh3+ and six N3- atoms to form distorted edge-sharing ClRhN6 pentagonal bipyramids.« less

Publication Date:
Other Number(s):
mp-1201300
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; ReRhBr6N5Cl; Br-Cl-N-Re-Rh
OSTI Identifier:
1684407
DOI:
https://doi.org/10.17188/1684407

Citation Formats

The Materials Project. Materials Data on ReRhBr6N5Cl by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684407.
The Materials Project. Materials Data on ReRhBr6N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1684407
The Materials Project. 2019. "Materials Data on ReRhBr6N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1684407. https://www.osti.gov/servlets/purl/1684407. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684407,
title = {Materials Data on ReRhBr6N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {ReRhN5Cl(Br)6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of twenty-four hydrobromic acid molecules; four rhenium molecules; one RhN5Cl cluster; and one RhN5Cl ribbon oriented in the (1, 0, 0) direction. In the RhN5Cl cluster, Rh3+ is bonded in a 5-coordinate geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.70–2.01 Å. The Rh–Cl bond length is 2.68 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rh3+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.84 Å. In the third N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.82 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.84 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and two equivalent Cl1- atoms. There are one shorter (2.88 Å) and one longer (3.62 Å) N–Cl bond lengths. Cl1- is bonded in a 1-coordinate geometry to one Rh3+ and five N3- atoms. In the RhN5Cl ribbon, Rh3+ is bonded in a 5-coordinate geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.70–2.01 Å. The Rh–Cl bond length is 2.64 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rh3+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.80 Å. In the third N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.25 Å) N–Cl bond lengths. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 2.82 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rh3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.36 Å) N–Cl bond lengths. Cl1- is bonded to one Rh3+ and six N3- atoms to form distorted edge-sharing ClRhN6 pentagonal bipyramids.},
doi = {10.17188/1684407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}