Materials Data on NaNbO2F by Materials Project

Abstract

NaNbO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.49 Å) and two longer (2.61 Å) Na–O bond lengths. There are one shorter (2.36 Å) and one longer (2.68 Å) Na–F bond lengths. Nb4+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. There are two shorter (2.01 Å) and two longer (2.02 Å) Nb–O bond lengths. Both Nb–F bond lengths are 2.17 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms.