CaFe2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(17), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Fe(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(14), one O(15), one O(16), one O(19), and one O(20) atom to form CaO6 octahedra that share corners with three equivalent Fe(11)O4 tetrahedra, corners with three equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(18), one O(20), one O(5), one O(7), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(11)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Fe(11)O4 tetrahedra, corners with two equivalent Fe(12)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the third Fe site, Fe(3) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form FeO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Fe(12)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(11)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(14), one O(15), one O(18), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(11)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the eighth Fe site, Fe(8) is bonded to one O(13), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Fe(11)O4 tetrahedra, corners with two equivalent Fe(12)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Fe(10)O6 octahedra. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(18), one O(6), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the tenth Fe site, Fe(10) is bonded to one O(16), one O(17), one O(19), one O(21), one O(22), and one O(23) atom to form FeO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Fe(11)O4 tetrahedra, corners with two equivalent Fe(12)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. In the eleventh Fe site, Fe(11) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the twelfth Fe site, Fe(12) is bonded to one O(10), one O(21), one O(22), and one O(24) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), one Fe(1), and one Fe(3) atom to form distorted OCa2Fe2 trigonal pyramids that share  a cornercorner with one O(17)Ca2Fe2 tetrahedra,  a cornercorner with one O(3)Ca2Fe2 trigonal pyramid,  a cornercorner with one O(4)CaFe3 trigonal pyramid,  an edgeedge with one O(3)Ca2Fe2 trigonal pyramid, and  an edgeedge with one O(4)CaFe3 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Fe(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(3), one Fe(3), and one Fe(4) atom to form distorted OCa2Fe2 trigonal pyramids that share  a cornercorner with one O(17)Ca2Fe2 tetrahedra,  a cornercorner with one O(1)Ca2Fe2 trigonal pyramid,  a cornercorner with one O(4)CaFe3 trigonal pyramid,  an edgeedge with one O(1)Ca2Fe2 trigonal pyramid, and  an edgeedge with one O(4)CaFe3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OCaFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Fe(2), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Fe(1), one Fe(4), and one Fe(9) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Fe(5), one Fe(6), and one Fe(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Fe(4), and one Fe(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Fe(2), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Fe(1), one Fe(12), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Fe(2), one Fe(5), and one Fe(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Fe(1), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Fe(6), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Fe(11), one Fe(5), and one Fe(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Fe(11), and one Fe(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Fe(10), and one Fe(6) atom. In the seventeenth O site, O(17) is bonded to one Ca(1), one Ca(6), one Fe(10), and one Fe(8) atom to form OCa2Fe2 tetrahedra that share  a cornercorner with one O(1)Ca2Fe2 trigonal pyramid,  a cornercorner with one O(3)Ca2Fe2 trigonal pyramid, and  a cornercorner with one O(4)CaFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Fe(5), one Fe(7), and one Fe(9) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Fe(10), one Fe(6), and one Fe(8) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Fe(11), and one Fe(5) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(3), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Fe(10), one Fe(12), and one Fe(3) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Fe(10), one Fe(11), and one Fe(8) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Fe(12), one Fe(3), and one Fe(8) atom.
CaFe2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(17), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. The Ca(1)-O(1) bond length is 2.18 Å. The Ca(1)-O(17) bond length is 2.24 Å. The Ca(1)-O(3) bond length is 2.18 Å. The Ca(1)-O(4) bond length is 2.26 Å. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The Ca(2)-O(11) bond length is 2.33 Å. The Ca(2)-O(12) bond length is 2.30 Å. The Ca(2)-O(5) bond length is 2.28 Å. The Ca(2)-O(6) bond length is 2.34 Å. The Ca(2)-O(8) bond length is 2.31 Å. The Ca(2)-O(9) bond length is 2.27 Å. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Fe(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Ca(3)-O(1) bond length is 2.22 Å. The Ca(3)-O(10) bond length is 2.33 Å. The Ca(3)-O(12) bond length is 2.27 Å. The Ca(3)-O(2) bond length is 2.33 Å. The Ca(3)-O(3) bond length is 2.23 Å. The Ca(3)-O(8) bond length is 2.27 Å. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(14), one O(15), one O(16), one O(19), and one O(20) atom to form CaO6 octahedra that share corners with three equivalent Fe(11)O4 tetrahedra, corners with three equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The Ca(4)-O(13) bond length is 2.29 Å. The Ca(4)-O(14) bond length is 2.32 Å. The Ca(4)-O(15) bond length is 2.28 Å. The Ca(4)-O(16) bond length is 2.29 Å. The Ca(4)-O(19) bond length is 2.33 Å. The Ca(4)-O(20) bond length is 2.28 Å. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(18), one O(20), one O(5), one O(7), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(11)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The Ca(5)-O(15) bond length is 2.28 Å. The Ca(5)-O(18) bond length is 2.32 Å. The Ca(5)-O(20) bond length is 2.28 Å. The Ca(5)-O(5) bond length is 2.27 Å. The Ca(5)-O(7) bond length is 2.30 Å. The Ca(5)-O(9) bond length is 2.27 Å. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Fe(11)O4 tetrahedra, corners with two equivalent Fe(12)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The Ca(6)-O(13) bond length is 2.29 Å. The Ca(6)-O(16) bond length is 2.28 Å. The Ca(6)-O(17) bond length is 2.25 Å. The Ca(6)-O(22) bond length is 2.29 Å. The Ca(6)-O(23) bond length is 2.29 Å. The Ca(6)-O(24) bond length is 2.31 Å. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Fe(1)-O(1) bond length is 1.95 Å. The Fe(1)-O(10) bond length is 2.15 Å. The Fe(1)-O(12) bond length is 2.07 Å. The Fe(1)-O(2) bond length is 2.17 Å. The Fe(1)-O(4) bond length is 2.05 Å. The Fe(1)-O(6) bond length is 2.17 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. The Fe(2)-O(11) bond length is 2.05 Å. The Fe(2)-O(2) bond length is 1.98 Å. The Fe(2)-O(5) bond length is 1.91 Å. The Fe(2)-O(9) bond length is 1.91 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form FeO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Fe(12)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The Fe(3)-O(1) bond length is 1.97 Å. The Fe(3)-O(21) bond length is 2.20 Å. The Fe(3)-O(22) bond length is 2.13 Å. The Fe(3)-O(24) bond length is 2.14 Å. The Fe(3)-O(3) bond length is 1.96 Å. The Fe(3)-O(4) bond length is 2.03 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The Fe(4)-O(10) bond length is 2.25 Å. The Fe(4)-O(2) bond length is 2.14 Å. The Fe(4)-O(3) bond length is 1.95 Å. The Fe(4)-O(4) bond length is 2.05 Å. The Fe(4)-O(6) bond length is 2.16 Å. The Fe(4)-O(8) bond length is 2.05 Å. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(11)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The Fe(5)-O(11) bond length is 2.13 Å. The Fe(5)-O(14) bond length is 2.18 Å. The Fe(5)-O(18) bond length is 2.14 Å. The Fe(5)-O(20) bond length is 2.06 Å. The Fe(5)-O(5) bond length is 2.05 Å. The Fe(5)-O(7) bond length is 2.12 Å. In the sixth Fe site, Fe(6) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. The Fe(6)-O(13) bond length is 1.90 Å. The Fe(6)-O(16) bond length is 1.90 Å. The Fe(6)-O(19) bond length is 1.99 Å. The Fe(6)-O(7) bond length is 2.02 Å. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(14), one O(15), one O(18), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(11)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The Fe(7)-O(11) bond length is 2.14 Å. The Fe(7)-O(14) bond length is 2.16 Å. The Fe(7)-O(15) bond length is 2.06 Å. The Fe(7)-O(18) bond length is 2.15 Å. The Fe(7)-O(7) bond length is 2.12 Å. The Fe(7)-O(9) bond length is 2.05 Å. In the eighth Fe site, Fe(8) is bonded to one O(13), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Fe(11)O4 tetrahedra, corners with two equivalent Fe(12)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Fe(10)O6 octahedra. The Fe(8)-O(13) bond length is 2.06 Å. The Fe(8)-O(17) bond length is 1.98 Å. The Fe(8)-O(19) bond length is 2.11 Å. The Fe(8)-O(21) bond length is 2.22 Å. The Fe(8)-O(23) bond length is 2.16 Å. The Fe(8)-O(24) bond length is 2.12 Å. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(18), one O(6), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. The Fe(9)-O(12) bond length is 1.90 Å. The Fe(9)-O(18) bond length is 2.02 Å. The Fe(9)-O(6) bond length is 2.04 Å. The Fe(9)-O(8) bond length is 1.90 Å. In the tenth Fe site, Fe(10) is bonded to one O(16), one O(17), one O(19), one O(21), one O(22), and one O(23) atom to form FeO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Fe(11)O4 tetrahedra, corners with two equivalent Fe(12)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The Fe(10)-O(16) bond length is 2.02 Å. The Fe(10)-O(17) bond length is 1.97 Å. The Fe(10)-O(19) bond length is 2.34 Å. The Fe(10)-O(21) bond length is 2.14 Å. The Fe(10)-O(22) bond length is 2.13 Å. The Fe(10)-O(23) bond length is 2.10 Å. In the eleventh Fe site, Fe(11) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. The Fe(11)-O(14) bond length is 2.04 Å. The Fe(11)-O(15) bond length is 1.91 Å. The Fe(11)-O(20) bond length is 1.90 Å. The Fe(11)-O(23) bond length is 2.03 Å. In the twelfth Fe site, Fe(12) is bonded to one O(10), one O(21), one O(22), and one O(24) atom to form FeO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. The Fe(12)-O(10) bond length is 1.94 Å. The Fe(12)-O(21) bond length is 2.13 Å. The Fe(12)-O(22) bond length is 1.96 Å. The Fe(12)-O(24) bond length is 1.96 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), one Fe(1), and one Fe(3) atom to form distorted OCa2Fe2 trigonal pyramids that share  a cornercorner with one O(17)Ca2Fe2 tetrahedra,  a cornercorner with one O(3)Ca2Fe2 trigonal pyramid,  a cornercorner with one O(4)CaFe3 trigonal pyramid,  an edgeedge with one O(3)Ca2Fe2 trigonal pyramid, and  an edgeedge with one O(4)CaFe3 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Fe(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(3), one Fe(3), and one Fe(4) atom to form distorted OCa2Fe2 trigonal pyramids that share  a cornercorner with one O(17)Ca2Fe2 tetrahedra,  a cornercorner with one O(1)Ca2Fe2 trigonal pyramid,  a cornercorner with one O(4)CaFe3 trigonal pyramid,  an edgeedge with one O(1)Ca2Fe2 trigonal pyramid, and  an edgeedge with one O(4)CaFe3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OCaFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Fe(2), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Fe(1), one Fe(4), and one Fe(9) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Fe(5), one Fe(6), and one Fe(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Fe(4), and one Fe(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Fe(2), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Fe(1), one Fe(12), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Fe(2), one Fe(5), and one Fe(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Fe(1), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Fe(6), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Fe(11), one Fe(5), and one Fe(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Fe(11), and one Fe(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Fe(10), and one Fe(6) atom. In the seventeenth O site, O(17) is bonded to one Ca(1), one Ca(6), one Fe(10), and one Fe(8) atom to form OCa2Fe2 tetrahedra that share  a cornercorner with one O(1)Ca2Fe2 trigonal pyramid,  a cornercorner with one O(3)Ca2Fe2 trigonal pyramid, and  a cornercorner with one O(4)CaFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Fe(5), one Fe(7), and one Fe(9) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Fe(10), one Fe(6), and one Fe(8) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Fe(11), and one Fe(5) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(3), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Fe(10), one Fe(12), and one Fe(3) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Fe(10), one Fe(11), and one Fe(8) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Fe(12), one Fe(3), and one Fe(8) atom.