NaCoF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Na(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form NaF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and edges with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-68°. Co(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form CoF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms.
NaCoF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Na(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form NaF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and edges with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-68°. Both Na(1)-F(2) bond lengths are 2.44 Å. There are two shorter (2.26 Å) and two longer (2.30 Å) Na(1)-F(1) bond lengths. Co(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form CoF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. Both Co(1)-F(1) bond lengths are 1.83 Å. There are two shorter (1.99 Å) and two longer (2.05 Å) Co(1)-F(2) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms.