U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb3(BrF8)2 by Materials Project
Abstract
Sb3F16(Br)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four Sb3F16 clusters. In each Sb3F16 cluster, there are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ 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 1.89–2.14 Å. In the second Sb2+ site, Sb2+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There is four shorter (1.89 Å) and two longer (2.02 Å) Sb–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the sixth F1- site, F1- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-27318
- 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; Sb3(BrF8)2; Br-F-Sb
- OSTI Identifier:
- 1201528
- DOI:
- https://doi.org/10.17188/1201528
Citation Formats
The Materials Project. Materials Data on Sb3(BrF8)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201528.
The Materials Project. Materials Data on Sb3(BrF8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1201528
The Materials Project. 2020.
"Materials Data on Sb3(BrF8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1201528. https://www.osti.gov/servlets/purl/1201528. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1201528,
title = {Materials Data on Sb3(BrF8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3F16(Br)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four Sb3F16 clusters. In each Sb3F16 cluster, there are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ 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 1.89–2.14 Å. In the second Sb2+ site, Sb2+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There is four shorter (1.89 Å) and two longer (2.02 Å) Sb–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb2+ atoms.},
doi = {10.17188/1201528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}