InBaCo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Co(2)O4 tetrahedra, edges with nine equivalent Co(1)O4 tetrahedra, and faces with four equivalent In(1)O6 octahedra. 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 In(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 53-55°. 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 In(1)O6 octahedra, corners with six equivalent Co(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Co(2)O4 tetrahedra, corners with nine equivalent Co(1)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. 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 Co(1), one Co(2), and one In(1) 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), two equivalent Co(1), and one In(1) atom.
InBaCo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Co(2)O4 tetrahedra, edges with nine equivalent Co(1)O4 tetrahedra, and faces with four equivalent In(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.15 Å. There are three shorter (3.08 Å) and three longer (3.22 Å) Ba(1)-O(3) bond lengths. 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 In(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Co(1)-O(1) bond length is 1.93 Å. The Co(1)-O(2) bond length is 1.96 Å. Both Co(1)-O(3) bond lengths are 1.93 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 In(1)O6 octahedra, corners with six equivalent Co(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. The Co(2)-O(2) bond length is 1.97 Å. All Co(2)-O(1) bond lengths are 1.93 Å. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Co(2)O4 tetrahedra, corners with nine equivalent Co(1)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. All In(1)-O(1) bond lengths are 2.21 Å. All In(1)-O(3) bond lengths are 2.20 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 Co(1), one Co(2), and one In(1) 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), two equivalent Co(1), and one In(1) atom.