Cr3Mn5O16 crystallizes in the triclinic P1 space group. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted linear geometry to one O(11) and one O(3) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(14); one O(8); two equivalent O(10,24); and two equivalent O(12,13) atoms. In the third Cr site, Cr(3) is bonded in a distorted linear geometry to two equivalent O(12,13) atoms. In the fourth Cr site, Cr(4) is bonded in a distorted linear geometry to one O(20) and one O(22) atom. In the fifth Cr site, Cr(5) is bonded in a 2-coordinate geometry to one O(26) and one O(28) atom. In the sixth Cr site, Cr(6) is bonded in a distorted linear geometry to one O(23) and one O(29) atom. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one O(14); one O(8); two equivalent O(12,13); and two equivalent O(16,17) atoms. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(6), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one O(25) and one O(7) atom. In the fourth Mn site, Mn(4) is bonded in a 2-coordinate geometry to one O(6) and one O(8) atom. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the sixth Mn site, Mn(6) is bonded in a 2-coordinate geometry to one O(14) and one O(19) atom. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(19), one O(20), one O(21), one O(22), one O(26), and one O(9) atom. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(23), one O(25), one O(28), one O(29), one O(30), and one O(31) atom. In the ninth Mn site, Mn(9) is bonded in a 2-coordinate geometry to one O(15), one O(18), one O(19), one O(20), one O(22), and one O(26) atom. In the tenth Mn site, Mn(10) is bonded in a 2-coordinate geometry to one O(23), one O(25), one O(27), one O(28), one O(29), and one O(32) atom. There are twenty-nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(7) atom. In the tenth O site, O(10,24) is bonded in a distorted single-bond geometry to one Cr(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the twelfth O site, O(12,13) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one Mn(1) atom. In the thirteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one Mn(6) atom. In the fourteenth O site, O(15) is bonded in a distorted single-bond geometry to one Mn(9) atom. In the fifteenth O site, O(16,17) is bonded in a distorted single-bond geometry to one Mn(1) atom. In the sixteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mn(9) atom. In the seventeenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(6), one Mn(7), and one Mn(9) atom. In the eighteenth O site, O(20) is bonded in a 3-coordinate geometry to one Cr(4), one Mn(7), and one Mn(9) atom. In the nineteenth O site, O(21) is bonded in a distorted single-bond geometry to one Mn(7) atom. In the twentieth O site, O(22) is bonded in a 3-coordinate geometry to one Cr(4), one Mn(7), and one Mn(9) atom. In the twenty-first O site, O(23) is bonded in a 3-coordinate geometry to one Cr(6), one Mn(10), and one Mn(8) atom. In the twenty-second O site, O(25) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), and one Mn(8) atom. In the twenty-third O site, O(26) is bonded in a 3-coordinate geometry to one Cr(5), one Mn(7), and one Mn(9) atom. In the twenty-fourth O site, O(27) is bonded in a distorted single-bond geometry to one Mn(10) atom. In the twenty-fifth O site, O(28) is bonded in a 3-coordinate geometry to one Cr(5), one Mn(10), and one Mn(8) atom. In the twenty-sixth O site, O(29) is bonded in a 3-coordinate geometry to one Cr(6), one Mn(10), and one Mn(8) atom. In the twenty-seventh O site, O(30) is bonded in a distorted single-bond geometry to one Mn(8) atom. In the twenty-eighth O site, O(31) is bonded in a distorted single-bond geometry to one Mn(8) atom. In the twenty-ninth O site, O(32) is bonded in a distorted single-bond geometry to one Mn(10) atom.
Cr3Mn5O16 crystallizes in the triclinic P1 space group. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted linear geometry to one O(11) and one O(3) atom. The Cr(1)-O(11) bond length is 1.55 Å. The Cr(1)-O(3) bond length is 1.56 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(14); one O(8); two equivalent O(10,24); and two equivalent O(12,13) atoms. The Cr(2)-O(14) bond length is 2.47 Å. The Cr(2)-O(8) bond length is 2.47 Å. Both Cr(2)-O(10,24) bond lengths are 1.59 Å. Both Cr(2)-O(12,13) bond lengths are 2.03 Å. In the third Cr site, Cr(3) is bonded in a distorted linear geometry to two equivalent O(12,13) atoms. Both Cr(3)-O(12,13) bond lengths are 1.55 Å. In the fourth Cr site, Cr(4) is bonded in a distorted linear geometry to one O(20) and one O(22) atom. The Cr(4)-O(20) bond length is 1.56 Å. The Cr(4)-O(22) bond length is 1.55 Å. In the fifth Cr site, Cr(5) is bonded in a 2-coordinate geometry to one O(26) and one O(28) atom. The Cr(5)-O(26) bond length is 1.57 Å. The Cr(5)-O(28) bond length is 1.57 Å. In the sixth Cr site, Cr(6) is bonded in a distorted linear geometry to one O(23) and one O(29) atom. The Cr(6)-O(23) bond length is 1.56 Å. The Cr(6)-O(29) bond length is 1.55 Å. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one O(14); one O(8); two equivalent O(12,13); and two equivalent O(16,17) atoms. The Mn(1)-O(14) bond length is 2.00 Å. The Mn(1)-O(8) bond length is 2.00 Å. Both Mn(1)-O(12,13) bond lengths are 2.42 Å. Both Mn(1)-O(16,17) bond lengths are 1.50 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(6), and one O(7) atom. The Mn(2)-O(1) bond length is 1.50 Å. The Mn(2)-O(11) bond length is 2.42 Å. The Mn(2)-O(3) bond length is 2.42 Å. The Mn(2)-O(5) bond length is 1.50 Å. The Mn(2)-O(6) bond length is 2.00 Å. The Mn(2)-O(7) bond length is 2.00 Å. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one O(25) and one O(7) atom. The Mn(3)-O(25) bond length is 1.55 Å. The Mn(3)-O(7) bond length is 1.55 Å. In the fourth Mn site, Mn(4) is bonded in a 2-coordinate geometry to one O(6) and one O(8) atom. The Mn(4)-O(6) bond length is 1.55 Å. The Mn(4)-O(8) bond length is 1.54 Å. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. The Mn(5)-O(11) bond length is 2.03 Å. The Mn(5)-O(2) bond length is 1.58 Å. The Mn(5)-O(3) bond length is 2.03 Å. The Mn(5)-O(4) bond length is 1.58 Å. The Mn(5)-O(6) bond length is 2.45 Å. The Mn(5)-O(7) bond length is 2.45 Å. In the sixth Mn site, Mn(6) is bonded in a 2-coordinate geometry to one O(14) and one O(19) atom. The Mn(6)-O(14) bond length is 1.54 Å. The Mn(6)-O(19) bond length is 1.55 Å. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(19), one O(20), one O(21), one O(22), one O(26), and one O(9) atom. The Mn(7)-O(19) bond length is 2.45 Å. The Mn(7)-O(20) bond length is 2.03 Å. The Mn(7)-O(21) bond length is 1.58 Å. The Mn(7)-O(22) bond length is 2.03 Å. The Mn(7)-O(26) bond length is 2.44 Å. The Mn(7)-O(9) bond length is 1.58 Å. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(23), one O(25), one O(28), one O(29), one O(30), and one O(31) atom. The Mn(8)-O(23) bond length is 2.03 Å. The Mn(8)-O(25) bond length is 2.46 Å. The Mn(8)-O(28) bond length is 2.44 Å. The Mn(8)-O(29) bond length is 2.03 Å. The Mn(8)-O(30) bond length is 1.58 Å. The Mn(8)-O(31) bond length is 1.58 Å. In the ninth Mn site, Mn(9) is bonded in a 2-coordinate geometry to one O(15), one O(18), one O(19), one O(20), one O(22), and one O(26) atom. The Mn(9)-O(15) bond length is 1.50 Å. The Mn(9)-O(18) bond length is 1.50 Å. The Mn(9)-O(19) bond length is 2.01 Å. The Mn(9)-O(20) bond length is 2.42 Å. The Mn(9)-O(22) bond length is 2.42 Å. The Mn(9)-O(26) bond length is 1.99 Å. In the tenth Mn site, Mn(10) is bonded in a 2-coordinate geometry to one O(23), one O(25), one O(27), one O(28), one O(29), and one O(32) atom. The Mn(10)-O(23) bond length is 2.42 Å. The Mn(10)-O(25) bond length is 2.01 Å. The Mn(10)-O(27) bond length is 1.50 Å. The Mn(10)-O(28) bond length is 1.99 Å. The Mn(10)-O(29) bond length is 2.42 Å. The Mn(10)-O(32) bond length is 1.50 Å. There are twenty-nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(7) atom. In the tenth O site, O(10,24) is bonded in a distorted single-bond geometry to one Cr(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the twelfth O site, O(12,13) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one Mn(1) atom. In the thirteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one Mn(6) atom. In the fourteenth O site, O(15) is bonded in a distorted single-bond geometry to one Mn(9) atom. In the fifteenth O site, O(16,17) is bonded in a distorted single-bond geometry to one Mn(1) atom. In the sixteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mn(9) atom. In the seventeenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(6), one Mn(7), and one Mn(9) atom. In the eighteenth O site, O(20) is bonded in a 3-coordinate geometry to one Cr(4), one Mn(7), and one Mn(9) atom. In the nineteenth O site, O(21) is bonded in a distorted single-bond geometry to one Mn(7) atom. In the twentieth O site, O(22) is bonded in a 3-coordinate geometry to one Cr(4), one Mn(7), and one Mn(9) atom. In the twenty-first O site, O(23) is bonded in a 3-coordinate geometry to one Cr(6), one Mn(10), and one Mn(8) atom. In the twenty-second O site, O(25) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), and one Mn(8) atom. In the twenty-third O site, O(26) is bonded in a 3-coordinate geometry to one Cr(5), one Mn(7), and one Mn(9) atom. In the twenty-fourth O site, O(27) is bonded in a distorted single-bond geometry to one Mn(10) atom. In the twenty-fifth O site, O(28) is bonded in a 3-coordinate geometry to one Cr(5), one Mn(10), and one Mn(8) atom. In the twenty-sixth O site, O(29) is bonded in a 3-coordinate geometry to one Cr(6), one Mn(10), and one Mn(8) atom. In the twenty-seventh O site, O(30) is bonded in a distorted single-bond geometry to one Mn(8) atom. In the twenty-eighth O site, O(31) is bonded in a distorted single-bond geometry to one Mn(8) atom. In the twenty-ninth O site, O(32) is bonded in a distorted single-bond geometry to one Mn(10) atom.