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Title: Materials Data on Sb4RuC6(O3F11)2 by Materials Project

Abstract

Ru(CO)6(Sb2F11)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two ruthenium molecules, and four Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+1.50+ sites. In the first Sb+1.50+ site, Sb+1.50+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. In the second Sb+1.50+ site, Sb+1.50+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the sixth F1- site, F1- ismore » bonded in a bent 150 degrees geometry to two Sb+1.50+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-555952
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; Sb4RuC6(O3F11)2; C-F-O-Ru-Sb
OSTI Identifier:
1269077
DOI:
https://doi.org/10.17188/1269077

Citation Formats

The Materials Project. Materials Data on Sb4RuC6(O3F11)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269077.
The Materials Project. Materials Data on Sb4RuC6(O3F11)2 by Materials Project. United States. doi:https://doi.org/10.17188/1269077
The Materials Project. 2020. "Materials Data on Sb4RuC6(O3F11)2 by Materials Project". United States. doi:https://doi.org/10.17188/1269077. https://www.osti.gov/servlets/purl/1269077. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269077,
title = {Materials Data on Sb4RuC6(O3F11)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ru(CO)6(Sb2F11)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two ruthenium molecules, and four Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+1.50+ sites. In the first Sb+1.50+ site, Sb+1.50+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. In the second Sb+1.50+ site, Sb+1.50+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+1.50+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.50+ atom.},
doi = {10.17188/1269077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}