Materials Data on K3SO4F by Materials Project
K3SO4F crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent F1- atoms. There are two shorter (2.75 Å) and four longer (3.02 Å) K–O bond lengths. Both K–F bond lengths are 2.68 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to eight equivalent O2- and two equivalent F1- atoms. All K–O bond lengths are 3.09 Å. Both K–F bond lengths are 2.77 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. O2- is bonded in a distorted single-bond geometry to five K1+ and one S6+ atom. F1- is bonded to six K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°.
- 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:
- 1269667
- Report Number(s):
- mp-557035
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on K3PO3F2 by Materials Project
Materials Data on K2NaNb(OF2)2 by Materials Project