CaMn2O4 is Spinel-like structured and 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(12), one O(13), one O(16), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. In the second Ca site, Ca(2) is bonded to one O(14); one O(3); and two equivalent O(11,15) atoms to form CaO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. In the third Ca site, Ca(3) is bonded to one O(13); one O(5); one O(7); one O(9); and two equivalent O(11,15) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form distorted CaO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(5); and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10); one O(2); one O(3); one O(6); and two equivalent O(11,15) atoms to form MnO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(7); and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), and one Mn(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(6), and one Mn(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Ca(3), one Mn(1), one Mn(3), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(8)CaMn3 trigonal pyramid;  a cornercorner with one O(9)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(7)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ca(4), one Mn(2), one Mn(4), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(16)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(10)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(3), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share corners with four equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with three equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(4), one Mn(2), one Mn(6), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(12)Ca2Mn2 tetrahedra, corners with two equivalent O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with three equivalent O(14)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(10)CaMn3 trigonal pyramid, and  an edgeedge with one O(6)CaMn3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ca(3), one Mn(3), one Mn(5), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(8)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(7)CaMn3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ca(4), one Mn(4), one Mn(6), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(6)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(6)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the eleventh O site, O(11,15) is bonded to one Ca(2), one Ca(3), one Mn(4), and one Mn(5) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(14)Ca2Mn2 trigonal pyramid;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with two equivalent O(7)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids;  an edgeedge with one O(11,15)Ca2Mn2 tetrahedra; and  an edgeedge with one O(13)Ca2Mn2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(4), one Mn(3), and one Mn(6) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(16)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(3), one Mn(1), and one Mn(5) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(5)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids; corners with three equivalent O(7)CaMn3 trigonal pyramids; and edges with two equivalent O(11,15)Ca2Mn2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Ca(2), one Ca(4), one Mn(2), and one Mn(6) atom to form distorted OCa2Mn2 trigonal pyramids that share corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(10)CaMn3 trigonal pyramids; corners with two equivalent O(6)CaMn3 trigonal pyramids; corners with three equivalent O(8)CaMn3 trigonal pyramids;  an edgeedge with one O(12)Ca2Mn2 tetrahedra; and  an edgeedge with one O(16)Ca2Mn2 tetrahedra. In the fifteenth O site, O(16) is bonded to one Ca(1), one Ca(4), one Mn(2), and one Mn(3) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)CaMn3 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(6)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(12)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid.
CaMn2O4 is Spinel-like structured and 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(12), one O(13), one O(16), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. The Ca(1)-O(12) bond length is 2.21 Å. The Ca(1)-O(13) bond length is 2.18 Å. The Ca(1)-O(16) bond length is 2.21 Å. The Ca(1)-O(4) bond length is 2.24 Å. In the second Ca site, Ca(2) is bonded to one O(14); one O(3); and two equivalent O(11,15) atoms to form CaO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. The Ca(2)-O(14) bond length is 2.18 Å. The Ca(2)-O(3) bond length is 2.24 Å. Both Ca(2)-O(11,15) bond lengths are 2.21 Å. In the third Ca site, Ca(3) is bonded to one O(13); one O(5); one O(7); one O(9); and two equivalent O(11,15) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The Ca(3)-O(13) bond length is 2.28 Å. The Ca(3)-O(5) bond length is 2.32 Å. The Ca(3)-O(7) bond length is 2.30 Å. The Ca(3)-O(9) bond length is 2.32 Å. Both Ca(3)-O(11,15) bond lengths are 2.30 Å. In the fourth Ca site, Ca(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form distorted CaO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The Ca(4)-O(10) bond length is 2.31 Å. The Ca(4)-O(12) bond length is 2.30 Å. The Ca(4)-O(14) bond length is 2.28 Å. The Ca(4)-O(16) bond length is 2.30 Å. The Ca(4)-O(6) bond length is 2.31 Å. The Ca(4)-O(8) bond length is 2.30 Å. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(5); and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The Mn(1)-O(1) bond length is 2.38 Å. The Mn(1)-O(11,15) bond length is 1.97 Å. The Mn(1)-O(13) bond length is 1.95 Å. The Mn(1)-O(3) bond length is 2.28 Å. The Mn(1)-O(5) bond length is 2.01 Å. The Mn(1)-O(7) bond length is 1.98 Å. In the second Mn site, Mn(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The Mn(2)-O(14) bond length is 1.94 Å. The Mn(2)-O(16) bond length is 1.97 Å. The Mn(2)-O(2) bond length is 2.38 Å. The Mn(2)-O(4) bond length is 2.29 Å. The Mn(2)-O(6) bond length is 2.00 Å. The Mn(2)-O(8) bond length is 1.99 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. The Mn(3)-O(1) bond length is 2.01 Å. The Mn(3)-O(12) bond length is 1.95 Å. The Mn(3)-O(16) bond length is 1.95 Å. The Mn(3)-O(4) bond length is 1.94 Å. The Mn(3)-O(5) bond length is 2.03 Å. The Mn(3)-O(9) bond length is 2.03 Å. In the fourth Mn site, Mn(4) is bonded to one O(10); one O(2); one O(3); one O(6); and two equivalent O(11,15) atoms to form MnO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. The Mn(4)-O(10) bond length is 2.01 Å. The Mn(4)-O(2) bond length is 2.00 Å. The Mn(4)-O(3) bond length is 1.93 Å. The Mn(4)-O(6) bond length is 2.01 Å. Both Mn(4)-O(11,15) bond lengths are 1.94 Å. In the fifth Mn site, Mn(5) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(7); and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The Mn(5)-O(1) bond length is 2.39 Å. The Mn(5)-O(11,15) bond length is 1.97 Å. The Mn(5)-O(13) bond length is 1.94 Å. The Mn(5)-O(3) bond length is 2.29 Å. The Mn(5)-O(7) bond length is 1.98 Å. The Mn(5)-O(9) bond length is 2.00 Å. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The Mn(6)-O(10) bond length is 2.00 Å. The Mn(6)-O(12) bond length is 1.97 Å. The Mn(6)-O(14) bond length is 1.94 Å. The Mn(6)-O(2) bond length is 2.38 Å. The Mn(6)-O(4) bond length is 2.29 Å. The Mn(6)-O(8) bond length is 1.99 Å. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. The Mn(7)-O(10) bond length is 2.14 Å. The Mn(7)-O(2) bond length is 2.15 Å. The Mn(7)-O(6) bond length is 2.14 Å. The Mn(7)-O(7) bond length is 2.09 Å. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. The Mn(8)-O(1) bond length is 2.14 Å. The Mn(8)-O(5) bond length is 2.13 Å. The Mn(8)-O(8) bond length is 2.09 Å. The Mn(8)-O(9) bond length is 2.13 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), and one Mn(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(6), and one Mn(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Ca(3), one Mn(1), one Mn(3), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(8)CaMn3 trigonal pyramid;  a cornercorner with one O(9)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(7)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ca(4), one Mn(2), one Mn(4), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(16)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(10)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(3), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share corners with four equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with three equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(4), one Mn(2), one Mn(6), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(12)Ca2Mn2 tetrahedra, corners with two equivalent O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with three equivalent O(14)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(10)CaMn3 trigonal pyramid, and  an edgeedge with one O(6)CaMn3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ca(3), one Mn(3), one Mn(5), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(8)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(7)CaMn3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ca(4), one Mn(4), one Mn(6), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(6)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(6)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the eleventh O site, O(11,15) is bonded to one Ca(2), one Ca(3), one Mn(4), and one Mn(5) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(14)Ca2Mn2 trigonal pyramid;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with two equivalent O(7)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids;  an edgeedge with one O(11,15)Ca2Mn2 tetrahedra; and  an edgeedge with one O(13)Ca2Mn2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(4), one Mn(3), and one Mn(6) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(16)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(3), one Mn(1), and one Mn(5) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(5)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids; corners with three equivalent O(7)CaMn3 trigonal pyramids; and edges with two equivalent O(11,15)Ca2Mn2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Ca(2), one Ca(4), one Mn(2), and one Mn(6) atom to form distorted OCa2Mn2 trigonal pyramids that share corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(10)CaMn3 trigonal pyramids; corners with two equivalent O(6)CaMn3 trigonal pyramids; corners with three equivalent O(8)CaMn3 trigonal pyramids;  an edgeedge with one O(12)Ca2Mn2 tetrahedra; and  an edgeedge with one O(16)Ca2Mn2 tetrahedra. In the fifteenth O site, O(16) is bonded to one Ca(1), one Ca(4), one Mn(2), and one Mn(3) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)CaMn3 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(6)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(12)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid.