BaNiO3

BaNiO₃ crystallizes in the hexagonal P6₃/mmc space group. Ba²⁺ is bonded to twelve equivalent
O²⁻ atoms to form BaO₁₂ cuboctahedra that share corners with six equivalent BaO₁₂
cuboctahedra, corners with six equivalent NiO₆ octahedra, faces with eight equivalent BaO₁₂
cuboctahedra, and faces with six equivalent NiO₆ octahedra. The corner-sharing octahedral tilt
angles are 13°. There are six shorter (2.85 Å) and six longer (3.01 Å) Ba–O bond lengths. Ni⁴⁺ is
bonded to six equivalent O²⁻ atoms to form NiO₆ octahedra that share corners with six
equivalent BaO₁₂ cuboctahedra, faces with six equivalent BaO₁₂ cuboctahedra, and faces with
two equivalent NiO₆ octahedra. All Ni–O bond lengths are 1.87 Å. O²⁻ is bonded in a 2-
coordinate geometry to four equivalent Ba²⁺ and two equivalent Ni⁴⁺ atoms.

a 5.68 Å

b 5.68 Å

c 4.78 Å

α 90.00 º

β 90.00 º

ɣ 120.00 º

Volume 133.45 ų

Crystal System Hexagonal

Lattice System Hexagonal

Hall Number -P 6c 2c

International Number 194

Symbol P6₃/mmc

Point Group 6/mmm