U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsSClOF8 by Materials Project
Abstract
AsSOClF8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsSOClF8 clusters. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.80 Å. S6+ is bonded in a distorted tetrahedral geometry to one O2-, one Cl1-, and two F1- atoms. The S–O bond length is 1.40 Å. The S–Cl bond length is 1.91 Å. There is one shorter (1.53 Å) and one longer (1.54 Å) S–F bond length. O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a 2-coordinate geometry to one S6+ and one F1- atom. The Cl–F bond length is 2.49 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometrymore »
- Publication Date:
- Other Number(s):
- mp-41092
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Cl-F-O-S; AsSClOF8; crystal structure
- OSTI Identifier:
- 1207860
- DOI:
- https://doi.org/10.17188/1207860
Citation Formats
Materials Data on AsSClOF8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207860.
Materials Data on AsSClOF8 by Materials Project. United States. doi:https://doi.org/10.17188/1207860
2020.
"Materials Data on AsSClOF8 by Materials Project". United States. doi:https://doi.org/10.17188/1207860. https://www.osti.gov/servlets/purl/1207860. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1207860,
title = {Materials Data on AsSClOF8 by Materials Project},
abstractNote = {AsSOClF8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsSOClF8 clusters. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.80 Å. S6+ is bonded in a distorted tetrahedral geometry to one O2-, one Cl1-, and two F1- atoms. The S–O bond length is 1.40 Å. The S–Cl bond length is 1.91 Å. There is one shorter (1.53 Å) and one longer (1.54 Å) S–F bond length. O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a 2-coordinate geometry to one S6+ and one F1- atom. The Cl–F bond length is 2.49 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one As5+ and one Cl1- atom.},
doi = {10.17188/1207860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}