Materials Data on K3CO3F by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1312705· OSTI ID:1312705

The Materials Project

K3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted face, edge, and corner-sharing KO5F2 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.05 Å. Both K–F bond lengths are 2.64 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom. F1- is bonded to six equivalent K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°.

• 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: 1312705
• Report Number(s): mp-8773
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
K3CO3F
C-F-K-O