TlNiO3 is pyrite-derived structured and crystallizes in the trigonal R3c space group. Ni(1) is bonded to six equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. Tl(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms.
TlNiO3 is pyrite-derived structured and crystallizes in the trigonal R3c space group. Ni(1) is bonded to six equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three shorter (1.95 Å) and three longer (1.97 Å) Ni(1)-O(1) bond lengths. Tl(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three shorter (2.20 Å) and three longer (2.52 Å) Tl(1)-O(1) bond lengths. O(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms.