NaCoF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. Co(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded to two equivalent Na(1) and two equivalent Co(1) atoms to form distorted corner-sharing FNa2Co2 trigonal pyramids.
NaCoF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. There is one shorter (2.25 Å) and one longer (2.33 Å) Na(1)-F(2) bond length. There are a spread of Na(1)-F(1) bond distances ranging from 2.26-2.74 Å. Co(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. Both Co(1)-F(2) bond lengths are 2.03 Å. All Co(1)-F(1) bond lengths are 2.03 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded to two equivalent Na(1) and two equivalent Co(1) atoms to form distorted corner-sharing FNa2Co2 trigonal pyramids.