Materials Data on K3(FeO2)2 by Materials Project
K3(FeO2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 2.70 Å. Fe+2.50+ is bonded to four O2- atoms to form corner-sharing FeO4 tetrahedra. There is two shorter (1.98 Å) and two longer (2.00 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four K1+ and two equivalent Fe+2.50+ atoms to form a mixture of corner and edge-sharing OK4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 12–65°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Fe+2.50+ atoms.
- 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:
- 1193571
- Report Number(s):
- mp-18865
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ga(FeO2)2 by Materials Project
Materials Data on Ti(FeO2)3 by Materials Project