U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbS(BrF2)3 by Materials Project
Abstract
SbS(BrF2)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SbS(BrF2)3 sheet oriented in the (1, 0, 0) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. S2- is bonded in a 6-coordinate geometry to three Br1+ and three F1- atoms. There are one shorter (2.18 Å) and two longer (2.19 Å) S–Br bond lengths. There are a spread of S–F bond distances ranging from 2.91–3.28 Å. There are three inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one S2- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one S2- atom. In the third Br1+ site, Br1+ is bonded in a single-bond geometry to one S2- atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one S2- atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the third F1- site, F1- is bonded in a single-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555288
- 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; SbS(BrF2)3; Br-F-S-Sb
- OSTI Identifier:
- 1268733
- DOI:
- https://doi.org/10.17188/1268733
Citation Formats
The Materials Project. Materials Data on SbS(BrF2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268733.
The Materials Project. Materials Data on SbS(BrF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1268733
The Materials Project. 2020.
"Materials Data on SbS(BrF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1268733. https://www.osti.gov/servlets/purl/1268733. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268733,
title = {Materials Data on SbS(BrF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {SbS(BrF2)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SbS(BrF2)3 sheet oriented in the (1, 0, 0) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. S2- is bonded in a 6-coordinate geometry to three Br1+ and three F1- atoms. There are one shorter (2.18 Å) and two longer (2.19 Å) S–Br bond lengths. There are a spread of S–F bond distances ranging from 2.91–3.28 Å. There are three inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one S2- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one S2- atom. In the third Br1+ site, Br1+ is bonded in a single-bond geometry to one S2- atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one S2- atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- 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 distorted single-bond geometry to one Sb5+ and one S2- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1268733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}