BaNiO3 crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ni(1)O6 octahedra, faces with eight equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ni(1)O6 octahedra. O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Ni(1) atoms.
BaNiO3 crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ni(1)O6 octahedra, faces with eight equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are six shorter (2.85 Å) and six longer (3.01 Å) Ba(1)-O(1) bond lengths. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ni(1)O6 octahedra. All Ni(1)-O(1) bond lengths are 1.87 Å. O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Ni(1) atoms.