Materials Data on CSCl(OF)3 by Materials Project
CSCl(OF)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CSCl(OF)3 clusters. C4+ is bonded to one O2- and three F1- atoms to form COF3 tetrahedra that share a cornercorner with one SClO3 tetrahedra. The C–O bond length is 1.40 Å. There is one shorter (1.34 Å) and two longer (1.35 Å) C–F bond length. S6+ is bonded to three O2- and one Cl1- atom to form distorted SClO3 tetrahedra that share a cornercorner with one COF3 tetrahedra. There are a spread of S–O bond distances ranging from 1.42–1.65 Å. The S–Cl bond length is 2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a single-bond geometry to one S6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C4+ 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:
- 1270437
- Report Number(s):
- mp-558648
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on KBS4(ClO3)4 by Materials Project
Materials Data on FeTe3S3Cl3(OF2)9 by Materials Project