Ba2MgYMn3O8 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Mn(2) atoms to form a mixture of distorted corner, face, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°.
Ba2MgYMn3O8 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. All Ba(1)-O(2) bond lengths are 2.80 Å. All Ba(1)-O(3) bond lengths are 2.85 Å. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.39 Å. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Y(1)-O(1) bond lengths are 2.39 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. The Mn(1)-O(3) bond length is 1.96 Å. All Mn(1)-O(1) bond lengths are 2.32 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Both Mn(2)-O(3) bond lengths are 2.38 Å. All Mn(2)-O(2) bond lengths are 2.00 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Mn(2) atoms to form a mixture of distorted corner, face, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°.