CaMn4O8 crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(17), one O(21), one O(26), and one O(31) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(13)O6 octahedra,  a cornercorner with one Mn(14)O6 octahedra,  a cornercorner with one Mn(15)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, and corners with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one O(18), one O(22), one O(25), and one O(32) atom. In the third Ca site, Ca(3) is bonded in a 5-coordinate geometry to one O(19), one O(2), one O(23), one O(28), and one O(29) atom. In the fourth Ca site, Ca(4) is bonded to one O(20), one O(24), one O(27), and one O(30) atom to form distorted CaO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(14)O6 octahedra,  a cornercorner with one Mn(15)O6 octahedra,  a cornercorner with one Mn(16)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-72°. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(18), one O(22), one O(30), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(13)O6 octahedra,  an edgeedge with one Mn(14)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(10), one O(17), one O(2), one O(21), one O(29), and one O(6) atom. In the third Mn site, Mn(3) is bonded to one O(11), one O(20), one O(24), one O(3), one O(32), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Ca(4)O4 tetrahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(15)O6 octahedra,  an edgeedge with one Mn(16)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(19), one O(23), one O(31), one O(4), and one O(8) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(13), one O(19), one O(23), one O(27), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(13)O6 octahedra,  an edgeedge with one Mn(15)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(14), one O(2), one O(20), one O(24), one O(28), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Ca(4)O4 tetrahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(14)O6 octahedra,  an edgeedge with one Mn(16)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(15), one O(17), one O(21), one O(25), one O(3), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Ca(1)O4 tetrahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(13)O6 octahedra,  an edgeedge with one Mn(15)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(18), one O(22), one O(26), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(14)O6 octahedra, and  an edgeedge with one Mn(16)O6 octahedra. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(13), one O(21), one O(25), one O(29), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(13)O6 octahedra. In the tenth Mn site, Mn(10) is bonded to one O(10), one O(14), one O(2), one O(22), one O(26), and one O(30) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(14)O6 octahedra. In the eleventh Mn site, Mn(11) is bonded to one O(11), one O(15), one O(23), one O(27), one O(3), and one O(31) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(15)O6 octahedra. In the twelfth Mn site, Mn(12) is bonded to one O(12), one O(16), one O(24), one O(28), one O(32), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(16)O6 octahedra. In the thirteenth Mn site, Mn(13) is bonded to one O(13), one O(17), one O(25), one O(29), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. In the fourteenth Mn site, Mn(14) is bonded to one O(10), one O(14), one O(18), one O(26), one O(30), and one O(6) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. In the fifteenth Mn site, Mn(15) is bonded to one O(11), one O(15), one O(19), one O(27), one O(31), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(11)O6 octahedra. In the sixteenth Mn site, Mn(16) is bonded to one O(12), one O(16), one O(20), one O(28), one O(32), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(12)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(5), and one Mn(9) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(3), one Mn(10), one Mn(2), and one Mn(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(12), one Mn(4), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(13), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(14), one Mn(2), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(15), one Mn(3), and one Mn(7) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Mn(16), one Mn(4), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(13), and one Mn(9) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mn(10), one Mn(14), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Mn(11), one Mn(15), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mn(12), one Mn(16), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(5), and one Mn(9) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(14), and one Mn(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(15), and one Mn(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(16), and one Mn(8) atom. In the seventeenth O site, O(17) is bonded to one Ca(1), one Mn(13), one Mn(2), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Ca(2), one Mn(1), one Mn(14), and one Mn(8) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the nineteenth O site, O(19) is bonded to one Ca(3), one Mn(15), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twentieth O site, O(20) is bonded to one Ca(4), one Mn(16), one Mn(3), and one Mn(6) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the twenty-first O site, O(21) is bonded to one Ca(1), one Mn(2), one Mn(7), and one Mn(9) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the twenty-second O site, O(22) is bonded to one Ca(2), one Mn(1), one Mn(10), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Ca(3), one Mn(11), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded to one Ca(4), one Mn(12), one Mn(3), and one Mn(6) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Ca(2), one Mn(13), one Mn(7), and one Mn(9) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twenty-sixth O site, O(26) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(10), one Mn(14), and one Mn(8) atom. In the twenty-seventh O site, O(27) is bonded to one Ca(4), one Mn(11), one Mn(15), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OCaMn3 tetrahedra. In the twenty-eighth O site, O(28) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Mn(12), one Mn(16), and one Mn(6) atom. In the twenty-ninth O site, O(29) is bonded to one Ca(3), one Mn(13), one Mn(2), and one Mn(9) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the thirtieth O site, O(30) is bonded to one Ca(4), one Mn(1), one Mn(10), and one Mn(14) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the thirty-first O site, O(31) is bonded to one Ca(1), one Mn(11), one Mn(15), and one Mn(4) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the thirty-second O site, O(32) is bonded to one Ca(2), one Mn(12), one Mn(16), and one Mn(3) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra.
CaMn4O8 crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(17), one O(21), one O(26), and one O(31) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(13)O6 octahedra,  a cornercorner with one Mn(14)O6 octahedra,  a cornercorner with one Mn(15)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, and corners with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. The Ca(1)-O(17) bond length is 2.21 Å. The Ca(1)-O(21) bond length is 2.28 Å. The Ca(1)-O(26) bond length is 2.21 Å. The Ca(1)-O(31) bond length is 2.22 Å. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one O(18), one O(22), one O(25), and one O(32) atom. The Ca(2)-O(18) bond length is 2.17 Å. The Ca(2)-O(22) bond length is 2.16 Å. The Ca(2)-O(25) bond length is 2.20 Å. The Ca(2)-O(32) bond length is 2.15 Å. In the third Ca site, Ca(3) is bonded in a 5-coordinate geometry to one O(19), one O(2), one O(23), one O(28), and one O(29) atom. The Ca(3)-O(19) bond length is 2.27 Å. The Ca(3)-O(2) bond length is 2.62 Å. The Ca(3)-O(23) bond length is 2.23 Å. The Ca(3)-O(28) bond length is 2.19 Å. The Ca(3)-O(29) bond length is 2.21 Å. In the fourth Ca site, Ca(4) is bonded to one O(20), one O(24), one O(27), and one O(30) atom to form distorted CaO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(14)O6 octahedra,  a cornercorner with one Mn(15)O6 octahedra,  a cornercorner with one Mn(16)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-72°. The Ca(4)-O(20) bond length is 2.19 Å. The Ca(4)-O(24) bond length is 2.21 Å. The Ca(4)-O(27) bond length is 2.22 Å. The Ca(4)-O(30) bond length is 2.17 Å. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(18), one O(22), one O(30), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(13)O6 octahedra,  an edgeedge with one Mn(14)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The Mn(1)-O(1) bond length is 1.96 Å. The Mn(1)-O(18) bond length is 1.97 Å. The Mn(1)-O(22) bond length is 1.89 Å. The Mn(1)-O(30) bond length is 1.95 Å. The Mn(1)-O(5) bond length is 1.95 Å. The Mn(1)-O(9) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(10), one O(17), one O(2), one O(21), one O(29), and one O(6) atom. The Mn(2)-O(10) bond length is 1.93 Å. The Mn(2)-O(17) bond length is 2.36 Å. The Mn(2)-O(2) bond length is 1.93 Å. The Mn(2)-O(21) bond length is 2.01 Å. The Mn(2)-O(29) bond length is 1.98 Å. The Mn(2)-O(6) bond length is 2.67 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(20), one O(24), one O(3), one O(32), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Ca(4)O4 tetrahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(15)O6 octahedra,  an edgeedge with one Mn(16)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The Mn(3)-O(11) bond length is 1.92 Å. The Mn(3)-O(20) bond length is 1.98 Å. The Mn(3)-O(24) bond length is 1.98 Å. The Mn(3)-O(3) bond length is 1.90 Å. The Mn(3)-O(32) bond length is 1.97 Å. The Mn(3)-O(7) bond length is 1.94 Å. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(19), one O(23), one O(31), one O(4), and one O(8) atom. The Mn(4)-O(12) bond length is 1.96 Å. The Mn(4)-O(19) bond length is 2.32 Å. The Mn(4)-O(23) bond length is 1.95 Å. The Mn(4)-O(31) bond length is 1.97 Å. The Mn(4)-O(4) bond length is 1.99 Å. The Mn(4)-O(8) bond length is 2.77 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(13), one O(19), one O(23), one O(27), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(13)O6 octahedra,  an edgeedge with one Mn(15)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The Mn(5)-O(1) bond length is 1.99 Å. The Mn(5)-O(13) bond length is 1.92 Å. The Mn(5)-O(19) bond length is 1.96 Å. The Mn(5)-O(23) bond length is 1.96 Å. The Mn(5)-O(27) bond length is 1.97 Å. The Mn(5)-O(5) bond length is 2.01 Å. In the sixth Mn site, Mn(6) is bonded to one O(14), one O(2), one O(20), one O(24), one O(28), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Ca(4)O4 tetrahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(14)O6 octahedra,  an edgeedge with one Mn(16)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The Mn(6)-O(14) bond length is 1.90 Å. The Mn(6)-O(2) bond length is 1.92 Å. The Mn(6)-O(20) bond length is 2.07 Å. The Mn(6)-O(24) bond length is 2.04 Å. The Mn(6)-O(28) bond length is 1.99 Å. The Mn(6)-O(6) bond length is 1.88 Å. In the seventh Mn site, Mn(7) is bonded to one O(15), one O(17), one O(21), one O(25), one O(3), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Ca(1)O4 tetrahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(13)O6 octahedra,  an edgeedge with one Mn(15)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The Mn(7)-O(15) bond length is 1.91 Å. The Mn(7)-O(17) bond length is 1.97 Å. The Mn(7)-O(21) bond length is 2.05 Å. The Mn(7)-O(25) bond length is 1.98 Å. The Mn(7)-O(3) bond length is 1.92 Å. The Mn(7)-O(7) bond length is 1.98 Å. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(18), one O(22), one O(26), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(14)O6 octahedra, and  an edgeedge with one Mn(16)O6 octahedra. The Mn(8)-O(16) bond length is 1.92 Å. The Mn(8)-O(18) bond length is 2.05 Å. The Mn(8)-O(22) bond length is 1.95 Å. The Mn(8)-O(26) bond length is 1.99 Å. The Mn(8)-O(4) bond length is 1.98 Å. The Mn(8)-O(8) bond length is 1.88 Å. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(13), one O(21), one O(25), one O(29), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(13)O6 octahedra. The Mn(9)-O(1) bond length is 1.97 Å. The Mn(9)-O(13) bond length is 1.90 Å. The Mn(9)-O(21) bond length is 2.01 Å. The Mn(9)-O(25) bond length is 1.93 Å. The Mn(9)-O(29) bond length is 1.96 Å. The Mn(9)-O(9) bond length is 1.94 Å. In the tenth Mn site, Mn(10) is bonded to one O(10), one O(14), one O(2), one O(22), one O(26), and one O(30) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(14)O6 octahedra. The Mn(10)-O(10) bond length is 2.01 Å. The Mn(10)-O(14) bond length is 1.91 Å. The Mn(10)-O(2) bond length is 2.42 Å. The Mn(10)-O(22) bond length is 2.27 Å. The Mn(10)-O(26) bond length is 1.97 Å. The Mn(10)-O(30) bond length is 2.05 Å. In the eleventh Mn site, Mn(11) is bonded to one O(11), one O(15), one O(23), one O(27), one O(3), and one O(31) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(15)O6 octahedra. The Mn(11)-O(11) bond length is 2.03 Å. The Mn(11)-O(15) bond length is 1.93 Å. The Mn(11)-O(23) bond length is 2.28 Å. The Mn(11)-O(27) bond length is 1.97 Å. The Mn(11)-O(3) bond length is 2.28 Å. The Mn(11)-O(31) bond length is 2.07 Å. In the twelfth Mn site, Mn(12) is bonded to one O(12), one O(16), one O(24), one O(28), one O(32), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(16)O6 octahedra. The Mn(12)-O(12) bond length is 1.96 Å. The Mn(12)-O(16) bond length is 1.89 Å. The Mn(12)-O(24) bond length is 2.01 Å. The Mn(12)-O(28) bond length is 1.92 Å. The Mn(12)-O(32) bond length is 1.96 Å. The Mn(12)-O(4) bond length is 1.98 Å. In the thirteenth Mn site, Mn(13) is bonded to one O(13), one O(17), one O(25), one O(29), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The Mn(13)-O(13) bond length is 2.42 Å. The Mn(13)-O(17) bond length is 1.94 Å. The Mn(13)-O(25) bond length is 2.30 Å. The Mn(13)-O(29) bond length is 2.00 Å. The Mn(13)-O(5) bond length is 1.98 Å. The Mn(13)-O(9) bond length is 1.98 Å. In the fourteenth Mn site, Mn(14) is bonded to one O(10), one O(14), one O(18), one O(26), one O(30), and one O(6) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The Mn(14)-O(10) bond length is 1.97 Å. The Mn(14)-O(14) bond length is 2.38 Å. The Mn(14)-O(18) bond length is 2.01 Å. The Mn(14)-O(26) bond length is 2.35 Å. The Mn(14)-O(30) bond length is 1.98 Å. The Mn(14)-O(6) bond length is 1.90 Å. In the fifteenth Mn site, Mn(15) is bonded to one O(11), one O(15), one O(19), one O(27), one O(31), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Mn(11)O6 octahedra. The Mn(15)-O(11) bond length is 1.97 Å. The Mn(15)-O(15) bond length is 2.40 Å. The Mn(15)-O(19) bond length is 1.96 Å. The Mn(15)-O(27) bond length is 2.29 Å. The Mn(15)-O(31) bond length is 2.00 Å. The Mn(15)-O(7) bond length is 2.00 Å. In the sixteenth Mn site, Mn(16) is bonded to one O(12), one O(16), one O(20), one O(28), one O(32), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(12)O6 octahedra. The Mn(16)-O(12) bond length is 1.98 Å. The Mn(16)-O(16) bond length is 2.37 Å. The Mn(16)-O(20) bond length is 1.98 Å. The Mn(16)-O(28) bond length is 2.37 Å. The Mn(16)-O(32) bond length is 2.00 Å. The Mn(16)-O(8) bond length is 1.90 Å. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(5), and one Mn(9) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(3), one Mn(10), one Mn(2), and one Mn(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(12), one Mn(4), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(13), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(14), one Mn(2), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(15), one Mn(3), and one Mn(7) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Mn(16), one Mn(4), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(13), and one Mn(9) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mn(10), one Mn(14), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Mn(11), one Mn(15), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mn(12), one Mn(16), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(5), and one Mn(9) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(14), and one Mn(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(15), and one Mn(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(16), and one Mn(8) atom. In the seventeenth O site, O(17) is bonded to one Ca(1), one Mn(13), one Mn(2), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Ca(2), one Mn(1), one Mn(14), and one Mn(8) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the nineteenth O site, O(19) is bonded to one Ca(3), one Mn(15), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twentieth O site, O(20) is bonded to one Ca(4), one Mn(16), one Mn(3), and one Mn(6) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the twenty-first O site, O(21) is bonded to one Ca(1), one Mn(2), one Mn(7), and one Mn(9) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the twenty-second O site, O(22) is bonded to one Ca(2), one Mn(1), one Mn(10), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Ca(3), one Mn(11), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded to one Ca(4), one Mn(12), one Mn(3), and one Mn(6) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Ca(2), one Mn(13), one Mn(7), and one Mn(9) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the twenty-sixth O site, O(26) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(10), one Mn(14), and one Mn(8) atom. In the twenty-seventh O site, O(27) is bonded to one Ca(4), one Mn(11), one Mn(15), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OCaMn3 tetrahedra. In the twenty-eighth O site, O(28) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Mn(12), one Mn(16), and one Mn(6) atom. In the twenty-ninth O site, O(29) is bonded to one Ca(3), one Mn(13), one Mn(2), and one Mn(9) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the thirtieth O site, O(30) is bonded to one Ca(4), one Mn(1), one Mn(10), and one Mn(14) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the thirty-first O site, O(31) is bonded to one Ca(1), one Mn(11), one Mn(15), and one Mn(4) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra. In the thirty-second O site, O(32) is bonded to one Ca(2), one Mn(12), one Mn(16), and one Mn(3) atom to form a mixture of corner and edge-sharing OCaMn3 tetrahedra.