Materials Data on NaCoF3 by Materials Project
NaCoF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.62 Å. Co2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.04 Å) and four longer (2.09 Å) Co–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Co2+ atoms to form distorted corner-sharing FNa2Co2 tetrahedra. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Co2+ atoms.
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