Materials Data on AsC2S2(OF3)3 by Materials Project
(CF2)2AsSOF5SO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight difluoromethane molecules, four sulfur dioxide molecules, and four AsSOF5 clusters. In each AsSOF5 cluster, As5+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The As–O bond length is 2.02 Å. There are a spread of As–F bond distances ranging from 1.74–1.77 Å. S1+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ 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 As5+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1270449
- Report Number(s):
- mp-558687
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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