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Title: Materials Data on Sb3WC6O6F17 by Materials Project

Abstract

WSbF6(CO)6Sb2F11 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two Sb2F11 clusters, and two WSbF6 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+0.33- sites. In the first Sb+0.33- site, Sb+0.33- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 Å. In the second Sb+0.33- site, Sb+0.33- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.90–2.10 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the sixth F1- site, F1- ismore » bonded in a single-bond geometry to one Sb+0.33- atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+0.33- atoms. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In each WSbF6 cluster, W6+ is bonded in a single-bond geometry to one F1- atom. The W–F bond length is 2.14 Å. Sb+0.33- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one W6+ and one Sb+0.33- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-699606
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; Sb3WC6O6F17; C-F-O-Sb-W
OSTI Identifier:
1285551
DOI:
10.17188/1285551

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sb3WC6O6F17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285551.
Persson, Kristin, & Project, Materials. Materials Data on Sb3WC6O6F17 by Materials Project. United States. doi:10.17188/1285551.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sb3WC6O6F17 by Materials Project". United States. doi:10.17188/1285551. https://www.osti.gov/servlets/purl/1285551. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285551,
title = {Materials Data on Sb3WC6O6F17 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {WSbF6(CO)6Sb2F11 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two Sb2F11 clusters, and two WSbF6 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+0.33- sites. In the first Sb+0.33- site, Sb+0.33- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 Å. In the second Sb+0.33- site, Sb+0.33- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.90–2.10 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+0.33- atoms. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In each WSbF6 cluster, W6+ is bonded in a single-bond geometry to one F1- atom. The W–F bond length is 2.14 Å. Sb+0.33- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one W6+ and one Sb+0.33- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.33- atom.},
doi = {10.17188/1285551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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