BaLuCo4O7 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms. Lu(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LuO6 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(4), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Lu(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 53-55°. In the second Co site, Co(2) 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 Lu(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 50-56°. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form CoO4 tetrahedra that share corners with three equivalent Lu(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 55-58°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Lu(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 53-61°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Lu(1), one Co(2), and one Co(3) atom. In the second O site, O(4) is bonded in a tetrahedral geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Lu(1), one Co(1), and one Co(3) atom. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(1), and one Co(4) atom. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(1), and one Co(2) atom. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(3), and one Co(4) atom. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(2), and one Co(4) atom.
BaLuCo4O7 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.82 Å. The Ba(1)-O(2) bond length is 2.87 Å. The Ba(1)-O(6) bond length is 2.83 Å. The Ba(1)-O(7) bond length is 2.91 Å. There is one shorter (3.04 Å) and one longer (3.24 Å) Ba(1)-O(3) bond length. There is one shorter (2.97 Å) and one longer (3.33 Å) Ba(1)-O(5) bond length. Lu(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LuO6 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 Lu(1)-O(1) bond length is 2.21 Å. The Lu(1)-O(2) bond length is 2.26 Å. The Lu(1)-O(3) bond length is 2.25 Å. The Lu(1)-O(5) bond length is 2.21 Å. The Lu(1)-O(6) bond length is 2.20 Å. The Lu(1)-O(7) bond length is 2.23 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Lu(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 53-55°. The Co(1)-O(4) bond length is 2.01 Å. The Co(1)-O(5) bond length is 1.94 Å. The Co(1)-O(6) bond length is 1.96 Å. The Co(1)-O(7) bond length is 1.98 Å. In the second Co site, Co(2) 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 Lu(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 50-56°. The Co(2)-O(2) bond length is 1.87 Å. The Co(2)-O(3) bond length is 1.87 Å. The Co(2)-O(4) bond length is 1.93 Å. The Co(2)-O(7) bond length is 1.89 Å. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form CoO4 tetrahedra that share corners with three equivalent Lu(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 55-58°. The Co(3)-O(1) bond length is 1.97 Å. The Co(3)-O(3) bond length is 2.01 Å. The Co(3)-O(4) bond length is 2.01 Å. The Co(3)-O(5) bond length is 1.96 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Lu(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 53-61°. The Co(4)-O(1) bond length is 1.96 Å. The Co(4)-O(2) bond length is 2.01 Å. The Co(4)-O(4) bond length is 2.01 Å. The Co(4)-O(6) bond length is 1.95 Å. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Lu(1), one Co(2), and one Co(3) atom. In the second O site, O(4) is bonded in a tetrahedral geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Lu(1), one Co(1), and one Co(3) atom. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(1), and one Co(4) atom. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(1), and one Co(2) atom. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(3), and one Co(4) atom. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Lu(1), one Co(2), and one Co(4) atom.