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Title: Materials Data on ReSbOF10 by Materials Project

Abstract

Re2O2F9Sb2F11 is Tetraauricupride structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of one Re2O2F9 cluster and one Sb2F11 cluster. In the Re2O2F9 cluster, Re7+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing ReOF5 octahedra. The corner-sharing octahedral tilt angles are 8°. The Re–O bond length is 1.68 Å. There are a spread of Re–F bond distances ranging from 1.84–2.13 Å. O2- is bonded in a single-bond geometry to one Re7+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the Sb2F11 cluster, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There is five shorter (1.90 Å) andmore » one longer (2.08 Å) Sb–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-554432
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; ReSbOF10; F-O-Re-Sb
OSTI Identifier:
1267898
DOI:
10.17188/1267898

Citation Formats

The Materials Project. Materials Data on ReSbOF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267898.
The Materials Project. Materials Data on ReSbOF10 by Materials Project. United States. doi:10.17188/1267898.
The Materials Project. 2020. "Materials Data on ReSbOF10 by Materials Project". United States. doi:10.17188/1267898. https://www.osti.gov/servlets/purl/1267898. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1267898,
title = {Materials Data on ReSbOF10 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2O2F9Sb2F11 is Tetraauricupride structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of one Re2O2F9 cluster and one Sb2F11 cluster. In the Re2O2F9 cluster, Re7+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing ReOF5 octahedra. The corner-sharing octahedral tilt angles are 8°. The Re–O bond length is 1.68 Å. There are a spread of Re–F bond distances ranging from 1.84–2.13 Å. O2- is bonded in a single-bond geometry to one Re7+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the Sb2F11 cluster, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There is five shorter (1.90 Å) and one longer (2.08 Å) Sb–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1267898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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