CrAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-53°. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted AlO4 trigonal pyramids that share corners with eight equivalent Cr(1)O6 octahedra and corners with two equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-81°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2Cr2 tetrahedra.
CrAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-53°. Both Cr(1)-O(2) bond lengths are 2.10 Å. There are two shorter (1.97 Å) and two longer (1.99 Å) Cr(1)-O(1) bond lengths. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted AlO4 trigonal pyramids that share corners with eight equivalent Cr(1)O6 octahedra and corners with two equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-81°. Both Al(1)-O(1) bond lengths are 1.81 Å. There is one shorter (1.89 Å) and one longer (1.91 Å) Al(1)-O(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2Cr2 tetrahedra.