U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb2BrF15 by Materials Project
Abstract
Sb2F11BrF4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four BrF4 clusters and four Sb2F11 clusters. In each BrF4 cluster, Br5+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.74 Å) and two longer (1.80 Å) Br–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In each Sb2F11 cluster, there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sb–F bond distances ranging from 1.88–2.09 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sb–F bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-30213
- 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; Sb2BrF15; Br-F-Sb
- OSTI Identifier:
- 1204626
- DOI:
- https://doi.org/10.17188/1204626
Citation Formats
The Materials Project. Materials Data on Sb2BrF15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204626.
The Materials Project. Materials Data on Sb2BrF15 by Materials Project. United States. doi:https://doi.org/10.17188/1204626
The Materials Project. 2020.
"Materials Data on Sb2BrF15 by Materials Project". United States. doi:https://doi.org/10.17188/1204626. https://www.osti.gov/servlets/purl/1204626. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1204626,
title = {Materials Data on Sb2BrF15 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2F11BrF4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four BrF4 clusters and four Sb2F11 clusters. In each BrF4 cluster, Br5+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.74 Å) and two longer (1.80 Å) Br–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In each Sb2F11 cluster, there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sb–F bond distances ranging from 1.88–2.09 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 5°. 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 Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. 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 linear geometry to two Sb5+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1204626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}