Materials Data on AlSCl3O2 by Materials Project
Abstract
AlSO2Cl3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AlSO2Cl3 cluster. Al3+ is bonded in a tetrahedral geometry to two O2- and two Cl1- atoms. There is one shorter (1.81 Å) and one longer (1.83 Å) Al–O bond length. Both Al–Cl bond lengths are 2.11 Å. S4+ is bonded in a distorted trigonal non-coplanar geometry to two O2- and one Cl1- atom. Both S–O bond lengths are 1.52 Å. The S–Cl bond length is 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one S4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one S4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-556418
- 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; AlSCl3O2; Al-Cl-O-S
- OSTI Identifier:
- 1269338
- DOI:
- https://doi.org/10.17188/1269338
Citation Formats
The Materials Project. Materials Data on AlSCl3O2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269338.
The Materials Project. Materials Data on AlSCl3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1269338
The Materials Project. 2020.
"Materials Data on AlSCl3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1269338. https://www.osti.gov/servlets/purl/1269338. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269338,
title = {Materials Data on AlSCl3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {AlSO2Cl3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AlSO2Cl3 cluster. Al3+ is bonded in a tetrahedral geometry to two O2- and two Cl1- atoms. There is one shorter (1.81 Å) and one longer (1.83 Å) Al–O bond length. Both Al–Cl bond lengths are 2.11 Å. S4+ is bonded in a distorted trigonal non-coplanar geometry to two O2- and one Cl1- atom. Both S–O bond lengths are 1.52 Å. The S–Cl bond length is 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one S4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one S4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.},
doi = {10.17188/1269338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}