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Title: Materials Data on SbRu2C6Cl7O6 by Materials Project

Abstract

(RuC3O3Cl2)2SbCl3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four antimony trichloride molecules and four RuC3O3Cl2 clusters. In two of the RuC3O3Cl2 clusters, Ru3+ is bonded to three C+2.67+ and three Cl1- atoms to form distorted edge-sharing RuC3Cl3 octahedra. There is one shorter (1.90 Å) and two longer (1.91 Å) Ru–C bond length. There are a spread of Ru–Cl bond distances ranging from 2.43–2.49 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- ismore » bonded in a single-bond geometry to one C+2.67+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Ru3+ atoms. In two of the RuC3O3Cl2 clusters, Ru3+ is bonded to three C+2.67+ and three Cl1- atoms to form distorted edge-sharing RuC3Cl3 octahedra. There are a spread of Ru–C bond distances ranging from 1.89–1.92 Å. There are one shorter (2.42 Å) and two longer (2.49 Å) Ru–Cl bond lengths. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ru3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-662588
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; SbRu2C6Cl7O6; C-Cl-O-Ru-Sb
OSTI Identifier:
1281423
DOI:
10.17188/1281423

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbRu2C6Cl7O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281423.
Persson, Kristin, & Project, Materials. Materials Data on SbRu2C6Cl7O6 by Materials Project. United States. doi:10.17188/1281423.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbRu2C6Cl7O6 by Materials Project". United States. doi:10.17188/1281423. https://www.osti.gov/servlets/purl/1281423. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1281423,
title = {Materials Data on SbRu2C6Cl7O6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(RuC3O3Cl2)2SbCl3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four antimony trichloride molecules and four RuC3O3Cl2 clusters. In two of the RuC3O3Cl2 clusters, Ru3+ is bonded to three C+2.67+ and three Cl1- atoms to form distorted edge-sharing RuC3Cl3 octahedra. There is one shorter (1.90 Å) and two longer (1.91 Å) Ru–C bond length. There are a spread of Ru–Cl bond distances ranging from 2.43–2.49 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Ru3+ atoms. In two of the RuC3O3Cl2 clusters, Ru3+ is bonded to three C+2.67+ and three Cl1- atoms to form distorted edge-sharing RuC3Cl3 octahedra. There are a spread of Ru–C bond distances ranging from 1.89–1.92 Å. There are one shorter (2.42 Å) and two longer (2.49 Å) Ru–Cl bond lengths. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ru3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru3+ atom.},
doi = {10.17188/1281423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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