BaSr3Mn3O10 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(5), and four equivalent O(3) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(1), one O(7), two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(5), two equivalent O(7), and four equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(1), one O(7), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second Mn site, Mn(2) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form face-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form face-sharing MnO6 octahedra. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sr(3), one Mn(1), and one Mn(3) atom. In the second O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(2), and one Mn(4) atom. In the third O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Sr(1), one Sr(2), one Sr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(6) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(2), two equivalent Sr(3), and one Mn(1) atom. In the fifth O site, O(7) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Mn(2) atom. In the sixth O site, O(1) is bonded to two equivalent Ba(1), one Sr(1), one Sr(3), one Mn(1), and one Mn(3) atom to form distorted OBa2Sr2Mn2 octahedra that share corners with three equivalent O(1)Ba2Sr2Mn2 octahedra and edges with two equivalent O(2)BaSr3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(2) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), one Mn(2), and one Mn(4) atom to form distorted OBaSr3Mn2 octahedra that share corners with three equivalent O(2)BaSr3Mn2 octahedra and edges with two equivalent O(1)Ba2Sr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
BaSr3Mn3O10 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(5), and four equivalent O(3) atoms. The Ba(1)-O(2) bond length is 2.74 Å. The Ba(1)-O(6) bond length is 2.50 Å. Both Ba(1)-O(1) bond lengths are 2.81 Å. Both Ba(1)-O(5) bond lengths are 2.81 Å. There are two shorter (2.77 Å) and two longer (2.98 Å) Ba(1)-O(3) bond lengths. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(1), one O(7), two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms. The Sr(1)-O(1) bond length is 2.75 Å. The Sr(1)-O(7) bond length is 2.48 Å. Both Sr(1)-O(2) bond lengths are 2.81 Å. Both Sr(1)-O(5) bond lengths are 2.73 Å. There are two shorter (2.70 Å) and two longer (2.95 Å) Sr(1)-O(4) bond lengths. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(5), two equivalent O(7), and four equivalent O(4) atoms. The Sr(2)-O(2) bond length is 2.63 Å. The Sr(2)-O(6) bond length is 3.16 Å. Both Sr(2)-O(5) bond lengths are 2.88 Å. Both Sr(2)-O(7) bond lengths are 2.86 Å. There are two shorter (2.63 Å) and two longer (2.86 Å) Sr(2)-O(4) bond lengths. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(1), one O(7), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. The Sr(3)-O(1) bond length is 2.64 Å. The Sr(3)-O(7) bond length is 3.16 Å. Both Sr(3)-O(5) bond lengths are 2.92 Å. Both Sr(3)-O(6) bond lengths are 2.85 Å. There are two shorter (2.65 Å) and two longer (2.82 Å) Sr(3)-O(3) bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. The Mn(1)-O(1) bond length is 2.14 Å. The Mn(1)-O(6) bond length is 1.79 Å. Both Mn(1)-O(3) bond lengths are 1.97 Å. Both Mn(1)-O(5) bond lengths are 1.90 Å. In the second Mn site, Mn(2) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. The Mn(2)-O(2) bond length is 2.18 Å. The Mn(2)-O(7) bond length is 1.82 Å. Both Mn(2)-O(4) bond lengths are 1.97 Å. Both Mn(2)-O(5) bond lengths are 1.89 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form face-sharing MnO6 octahedra. Both Mn(3)-O(1) bond lengths are 1.94 Å. All Mn(3)-O(3) bond lengths are 1.94 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form face-sharing MnO6 octahedra. Both Mn(4)-O(2) bond lengths are 1.92 Å. All Mn(4)-O(4) bond lengths are 1.93 Å. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sr(3), one Mn(1), and one Mn(3) atom. In the second O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(2), and one Mn(4) atom. In the third O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Sr(1), one Sr(2), one Sr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(6) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(2), two equivalent Sr(3), and one Mn(1) atom. In the fifth O site, O(7) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Mn(2) atom. In the sixth O site, O(1) is bonded to two equivalent Ba(1), one Sr(1), one Sr(3), one Mn(1), and one Mn(3) atom to form distorted OBa2Sr2Mn2 octahedra that share corners with three equivalent O(1)Ba2Sr2Mn2 octahedra and edges with two equivalent O(2)BaSr3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(2) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), one Mn(2), and one Mn(4) atom to form distorted OBaSr3Mn2 octahedra that share corners with three equivalent O(2)BaSr3Mn2 octahedra and edges with two equivalent O(1)Ba2Sr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.