BaHoCo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 12-coordinate geometry to six equivalent O(1) and six equivalent O(3) atoms. Ho(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form HoO6 octahedra that share corners with three equivalent Co(2)O4 tetrahedra and corners with nine equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with four equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Co site, Co(2) is bonded to one O(2) and three equivalent O(1) atoms to form CoO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra and corners with six equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Ho(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Co(2) and three equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ho(1), and two equivalent Co(1) atoms.
BaHoCo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 12-coordinate geometry to six equivalent O(1) and six equivalent O(3) atoms. All Ba(1)-O(1) bond lengths are 3.20 Å. There are three shorter (2.89 Å) and three longer (3.49 Å) Ba(1)-O(3) bond lengths. Ho(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form HoO6 octahedra that share corners with three equivalent Co(2)O4 tetrahedra and corners with nine equivalent Co(1)O4 tetrahedra. All Ho(1)-O(1) bond lengths are 2.25 Å. All Ho(1)-O(3) bond lengths are 2.28 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with four equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Co(1)-O(1) bond length is 1.92 Å. The Co(1)-O(2) bond length is 1.96 Å. Both Co(1)-O(3) bond lengths are 1.94 Å. In the second Co site, Co(2) is bonded to one O(2) and three equivalent O(1) atoms to form CoO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra and corners with six equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The Co(2)-O(2) bond length is 2.07 Å. All Co(2)-O(1) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Ho(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Co(2) and three equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ho(1), and two equivalent Co(1) atoms.