YbBaCo4O7 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form YbO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(3)O4 tetrahedra, and corners with three equivalent Co(4)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Co site, Co(3) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), and one Co(3) atom. In the second O site, O(6) is bonded to one Ba(1), one Yb(1), one Co(1), and one Co(3) atom to form distorted corner-sharing OBaYbCo2 tetrahedra. In the third O site, O(7) is bonded to one Co(1), one Co(2), one Co(3), and one Co(4) atom to form corner-sharing OCo4 tetrahedra. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(2) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(4) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(3), and one Co(4) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), and one Co(4) atom.
YbBaCo4O7 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ba(1)-O(1) bond length is 2.97 Å. The Ba(1)-O(2) bond length is 2.76 Å. The Ba(1)-O(3) bond length is 3.12 Å. The Ba(1)-O(4) bond length is 2.91 Å. The Ba(1)-O(5) bond length is 2.88 Å. The Ba(1)-O(6) bond length is 2.76 Å. Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form YbO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(3)O4 tetrahedra, and corners with three equivalent Co(4)O4 tetrahedra. The Yb(1)-O(1) bond length is 2.33 Å. The Yb(1)-O(2) bond length is 2.30 Å. The Yb(1)-O(3) bond length is 2.33 Å. The Yb(1)-O(4) bond length is 2.32 Å. The Yb(1)-O(5) bond length is 2.34 Å. The Yb(1)-O(6) bond length is 2.36 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-65°. The Co(1)-O(1) bond length is 1.99 Å. The Co(1)-O(2) bond length is 1.92 Å. The Co(1)-O(6) bond length is 1.98 Å. The Co(1)-O(7) bond length is 2.03 Å. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. The Co(2)-O(1) bond length is 1.83 Å. The Co(2)-O(4) bond length is 1.84 Å. The Co(2)-O(5) bond length is 1.94 Å. The Co(2)-O(7) bond length is 2.01 Å. In the third Co site, Co(3) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. The Co(3)-O(3) bond length is 1.83 Å. The Co(3)-O(5) bond length is 1.92 Å. The Co(3)-O(6) bond length is 1.84 Å. The Co(3)-O(7) bond length is 1.96 Å. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. The Co(4)-O(2) bond length is 1.92 Å. The Co(4)-O(3) bond length is 1.95 Å. The Co(4)-O(4) bond length is 1.98 Å. The Co(4)-O(7) bond length is 2.03 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), and one Co(3) atom. In the second O site, O(6) is bonded to one Ba(1), one Yb(1), one Co(1), and one Co(3) atom to form distorted corner-sharing OBaYbCo2 tetrahedra. In the third O site, O(7) is bonded to one Co(1), one Co(2), one Co(3), and one Co(4) atom to form corner-sharing OCo4 tetrahedra. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(2) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(4) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(3), and one Co(4) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), and one Co(4) atom.