Ba2YMn3O7 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(6) atoms. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO5 square pyramids. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. In the fourth Mn site, Mn(4) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing MnO5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(5) is bonded to four equivalent Ba(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the second O site, O(6) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(4) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(1) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(2) atoms. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(4) atoms. In the sixth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Mn(2), and one Mn(4) atom.
Ba2YMn3O7 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ba(1)-O(2) bond length is 3.05 Å. The Ba(1)-O(3) bond length is 3.22 Å. Both Ba(1)-O(1) bond lengths are 2.93 Å. Both Ba(1)-O(4) bond lengths are 3.05 Å. Both Ba(1)-O(5) bond lengths are 2.84 Å. Both Ba(1)-O(6) bond lengths are 2.85 Å. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Both Y(1)-O(2) bond lengths are 2.55 Å. Both Y(1)-O(3) bond lengths are 2.43 Å. All Y(1)-O(4) bond lengths are 2.43 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(6) atoms. Both Mn(1)-O(1) bond lengths are 1.93 Å. Both Mn(1)-O(6) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO5 square pyramids. The Mn(2)-O(5) bond length is 2.14 Å. Both Mn(2)-O(2) bond lengths are 1.98 Å. Both Mn(2)-O(4) bond lengths are 1.98 Å. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. Both Mn(3)-O(1) bond lengths are 2.17 Å. Both Mn(3)-O(5) bond lengths are 2.01 Å. In the fourth Mn site, Mn(4) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing MnO5 trigonal bipyramids. The Mn(4)-O(6) bond length is 2.12 Å. Both Mn(4)-O(3) bond lengths are 2.05 Å. Both Mn(4)-O(4) bond lengths are 2.20 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded to four equivalent Ba(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the second O site, O(6) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(4) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(1) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(2) atoms. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(4) atoms. In the sixth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Mn(2), and one Mn(4) atom.