YbBaCo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Yb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form YbO6 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(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Yb(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 56°. In the second Co site, Co(2) is bonded to one O(3) and three equivalent O(1) atoms to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra and corners with six equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. 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 Yb(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a tetrahedral geometry to one Co(2) and three equivalent Co(1) atoms.
YbBaCo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. All Ba(1)-O(2) bond lengths are 2.81 Å. All Ba(1)-O(1) bond lengths are 3.17 Å. Yb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form YbO6 octahedra that share corners with three equivalent Co(2)O4 tetrahedra and corners with nine equivalent Co(1)O4 tetrahedra. All Yb(1)-O(1) bond lengths are 2.29 Å. All Yb(1)-O(2) bond lengths are 2.35 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Yb(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 56°. The Co(1)-O(1) bond length is 1.88 Å. The Co(1)-O(3) bond length is 2.01 Å. Both Co(1)-O(2) bond lengths are 1.89 Å. In the second Co site, Co(2) is bonded to one O(3) and three equivalent O(1) atoms to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra and corners with six equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. The Co(2)-O(3) bond length is 1.98 Å. All Co(2)-O(1) bond lengths are 1.92 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 Yb(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a tetrahedral geometry to one Co(2) and three equivalent Co(1) atoms.