Ba2YCo3O7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO5 square pyramids. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Co(2) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Co(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°.
Ba2YCo3O7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Both Ba(1)-O(1) bond lengths are 2.85 Å. Both Ba(1)-O(2) bond lengths are 3.04 Å. Both Ba(1)-O(3) bond lengths are 3.01 Å. All Ba(1)-O(4) bond lengths are 2.80 Å. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. All Y(1)-O(2) bond lengths are 2.46 Å. All Y(1)-O(3) bond lengths are 2.42 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO5 square pyramids. The Co(1)-O(4) bond length is 2.18 Å. Both Co(1)-O(2) bond lengths are 1.98 Å. Both Co(1)-O(3) bond lengths are 2.03 Å. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Co(2)-O(1) bond lengths are 2.00 Å. Both Co(2)-O(4) bond lengths are 1.84 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Co(2) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Co(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°.