Sr8MgMn6O20 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(8), one O(9), two equivalent O(12), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), two equivalent O(1), and two equivalent O(13) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(12), one O(14), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. In the fourth Sr site, Sr(4) is bonded in a 10-coordinate geometry to one O(11), one O(13), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the fifth Sr site, Sr(5) is bonded in a 10-coordinate geometry to one O(10), one O(7), two equivalent O(1), two equivalent O(11), two equivalent O(3), and two equivalent O(4) atoms. In the sixth Sr site, Sr(6) is bonded in a 10-coordinate geometry to one O(8), one O(9), two equivalent O(14), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the seventh Sr site, Sr(7) is bonded in a 8-coordinate geometry to one O(12), one O(14), two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms. In the eighth Sr site, Sr(8) is bonded in a 8-coordinate geometry to one O(11), one O(13), two equivalent O(1), two equivalent O(10), and two equivalent O(5) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(12), two equivalent O(5), and two equivalent O(6) atoms. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Mn site, Mn(2) is bonded to one O(14), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the third Mn site, Mn(3) is bonded to one O(12), one O(9), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(13), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(14), two equivalent O(3), and two equivalent O(4) atoms to form face-sharing MnO6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form distorted face-sharing MnO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(4), one Sr(5), one Sr(8), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), one Sr(7), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(1), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(8), one Mg(1), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(7), one Mg(1), one Mn(3), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(5), two equivalent Sr(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(6), two equivalent Sr(3), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(6), two equivalent Sr(7), one Mn(3), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(5), two equivalent Sr(8), one Mn(4), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(4), one Sr(8), two equivalent Sr(5), one Mn(1), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(7), two equivalent Sr(1), one Mg(1), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(8), two equivalent Sr(2), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded to one Sr(3), one Sr(7), two equivalent Sr(6), one Mn(2), and one Mn(5) atom to form distorted corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°.
Sr8MgMn6O20 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(8), one O(9), two equivalent O(12), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. The Sr(1)-O(8) bond length is 2.69 Å. The Sr(1)-O(9) bond length is 2.49 Å. Both Sr(1)-O(12) bond lengths are 2.83 Å. Both Sr(1)-O(2) bond lengths are 2.83 Å. Both Sr(1)-O(5) bond lengths are 3.05 Å. Both Sr(1)-O(6) bond lengths are 2.58 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), two equivalent O(1), and two equivalent O(13) atoms. The Sr(2)-O(10) bond length is 2.48 Å. The Sr(2)-O(7) bond length is 2.38 Å. Both Sr(2)-O(1) bond lengths are 2.62 Å. Both Sr(2)-O(13) bond lengths are 2.80 Å. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(12), one O(14), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. The Sr(3)-O(12) bond length is 2.97 Å. The Sr(3)-O(14) bond length is 2.50 Å. Both Sr(3)-O(2) bond lengths are 2.93 Å. Both Sr(3)-O(3) bond lengths are 2.59 Å. Both Sr(3)-O(4) bond lengths are 2.84 Å. Both Sr(3)-O(8) bond lengths are 2.88 Å. In the fourth Sr site, Sr(4) is bonded in a 10-coordinate geometry to one O(11), one O(13), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. The Sr(4)-O(11) bond length is 2.50 Å. The Sr(4)-O(13) bond length is 2.91 Å. Both Sr(4)-O(1) bond lengths are 2.91 Å. Both Sr(4)-O(3) bond lengths are 2.87 Å. Both Sr(4)-O(4) bond lengths are 2.65 Å. Both Sr(4)-O(7) bond lengths are 2.84 Å. In the fifth Sr site, Sr(5) is bonded in a 10-coordinate geometry to one O(10), one O(7), two equivalent O(1), two equivalent O(11), two equivalent O(3), and two equivalent O(4) atoms. The Sr(5)-O(10) bond length is 3.12 Å. The Sr(5)-O(7) bond length is 2.46 Å. Both Sr(5)-O(1) bond lengths are 2.66 Å. Both Sr(5)-O(11) bond lengths are 2.80 Å. Both Sr(5)-O(3) bond lengths are 3.04 Å. Both Sr(5)-O(4) bond lengths are 2.60 Å. In the sixth Sr site, Sr(6) is bonded in a 10-coordinate geometry to one O(8), one O(9), two equivalent O(14), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Sr(6)-O(8) bond length is 2.40 Å. The Sr(6)-O(9) bond length is 3.01 Å. Both Sr(6)-O(14) bond lengths are 2.80 Å. Both Sr(6)-O(2) bond lengths are 2.67 Å. Both Sr(6)-O(3) bond lengths are 2.65 Å. Both Sr(6)-O(4) bond lengths are 2.88 Å. In the seventh Sr site, Sr(7) is bonded in a 8-coordinate geometry to one O(12), one O(14), two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms. The Sr(7)-O(12) bond length is 2.50 Å. The Sr(7)-O(14) bond length is 2.83 Å. Both Sr(7)-O(2) bond lengths are 2.54 Å. Both Sr(7)-O(6) bond lengths are 2.71 Å. Both Sr(7)-O(9) bond lengths are 2.81 Å. In the eighth Sr site, Sr(8) is bonded in a 8-coordinate geometry to one O(11), one O(13), two equivalent O(1), two equivalent O(10), and two equivalent O(5) atoms. The Sr(8)-O(11) bond length is 3.05 Å. The Sr(8)-O(13) bond length is 2.45 Å. Both Sr(8)-O(1) bond lengths are 2.65 Å. Both Sr(8)-O(10) bond lengths are 2.80 Å. Both Sr(8)-O(5) bond lengths are 2.64 Å. Mg(1) is bonded in a 5-coordinate geometry to one O(12), two equivalent O(5), and two equivalent O(6) atoms. The Mg(1)-O(12) bond length is 1.98 Å. Both Mg(1)-O(5) bond lengths are 1.99 Å. Both Mg(1)-O(6) bond lengths are 2.20 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. The Mn(1)-O(11) bond length is 2.02 Å. The Mn(1)-O(7) bond length is 1.90 Å. Both Mn(1)-O(1) bond lengths are 1.90 Å. Both Mn(1)-O(4) bond lengths are 2.03 Å. In the second Mn site, Mn(2) is bonded to one O(14), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. The Mn(2)-O(14) bond length is 2.07 Å. The Mn(2)-O(8) bond length is 1.83 Å. Both Mn(2)-O(2) bond lengths are 1.91 Å. Both Mn(2)-O(3) bond lengths are 1.97 Å. In the third Mn site, Mn(3) is bonded to one O(12), one O(9), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. The Mn(3)-O(12) bond length is 1.93 Å. The Mn(3)-O(9) bond length is 1.99 Å. Both Mn(3)-O(2) bond lengths are 1.91 Å. Both Mn(3)-O(6) bond lengths are 1.93 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(13), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. The Mn(4)-O(10) bond length is 2.08 Å. The Mn(4)-O(13) bond length is 1.87 Å. Both Mn(4)-O(1) bond lengths are 2.04 Å. Both Mn(4)-O(5) bond lengths are 2.17 Å. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(14), two equivalent O(3), and two equivalent O(4) atoms to form face-sharing MnO6 octahedra. The Mn(5)-O(11) bond length is 1.92 Å. The Mn(5)-O(14) bond length is 1.92 Å. Both Mn(5)-O(3) bond lengths are 1.94 Å. Both Mn(5)-O(4) bond lengths are 1.93 Å. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form distorted face-sharing MnO6 octahedra. The Mn(6)-O(10) bond length is 1.93 Å. The Mn(6)-O(9) bond length is 1.95 Å. Both Mn(6)-O(5) bond lengths are 2.12 Å. Both Mn(6)-O(6) bond lengths are 2.22 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(4), one Sr(5), one Sr(8), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), one Sr(7), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Sr(5), one Sr(6), one Mn(1), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(8), one Mg(1), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(7), one Mg(1), one Mn(3), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(5), two equivalent Sr(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(6), two equivalent Sr(3), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(6), two equivalent Sr(7), one Mn(3), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(5), two equivalent Sr(8), one Mn(4), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(4), one Sr(8), two equivalent Sr(5), one Mn(1), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(7), two equivalent Sr(1), one Mg(1), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(8), two equivalent Sr(2), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded to one Sr(3), one Sr(7), two equivalent Sr(6), one Mn(2), and one Mn(5) atom to form distorted corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°.