NaNiF3 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. Ni(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. 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 Ni(1) atoms. In the second F site, F(2) is bonded to two equivalent Na(1) and two equivalent Ni(1) atoms to form distorted corner-sharing FNa2Ni2 trigonal pyramids.
NaNiF3 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 (2.24 Å) and one longer (2.29 Å) Na(1)-F(2) bond length. There are a spread of Na(1)-F(1) bond distances ranging from 2.27-2.69 Å. Ni(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. Both Ni(1)-F(2) bond lengths are 2.00 Å. All Ni(1)-F(1) bond lengths are 2.00 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 Ni(1) atoms. In the second F site, F(2) is bonded to two equivalent Na(1) and two equivalent Ni(1) atoms to form distorted corner-sharing FNa2Ni2 trigonal pyramids.