Materials Data on KFeO2 by Materials Project

Dataset · Fri Jul 21 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1295868· OSTI ID:1295868

The Materials Project

KFeO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.13 Å. Fe3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing FeO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.91–1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent K1+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Fe3+ 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: 1295868
• Report Number(s): mp-765271
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KFeO2
Fe-K-O