Ca7MgMn7FeO24 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(4), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(5), and four equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(3)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Mg(1)O12 cuboctahedra, faces with four equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with four equivalent Mg(1)O12 cuboctahedra, corners with eight equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. In the third Ca site, Ca(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. Mg(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form MgO12 cuboctahedra that share corners with twelve equivalent Ca(2)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Mn site, Mn(3) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ca(2), two equivalent Ca(1), one Mg(1), one Mn(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ca(2), two equivalent Ca(1), one Mg(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ca(2), two equivalent Ca(1), one Mg(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ca(1), one Ca(3), two equivalent Ca(2), one Mn(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ca(1), one Ca(3), two equivalent Ca(2), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ca(1), one Ca(3), two equivalent Ca(2), one Mn(2), and one Mn(3) atom.
Ca7MgMn7FeO24 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(4), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(5), and four equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(3)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Mg(1)O12 cuboctahedra, faces with four equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. The Ca(1)-O(4) bond length is 2.69 Å. The Ca(1)-O(6) bond length is 2.69 Å. Both Ca(1)-O(1) bond lengths are 2.69 Å. Both Ca(1)-O(3) bond lengths are 2.69 Å. Both Ca(1)-O(5) bond lengths are 2.69 Å. All Ca(1)-O(2) bond lengths are 2.69 Å. In the second Ca site, Ca(2) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with four equivalent Mg(1)O12 cuboctahedra, corners with eight equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. The Ca(2)-O(1) bond length is 2.72 Å. The Ca(2)-O(3) bond length is 2.72 Å. Both Ca(2)-O(2) bond lengths are 2.72 Å. Both Ca(2)-O(4) bond lengths are 2.69 Å. Both Ca(2)-O(6) bond lengths are 2.69 Å. All Ca(2)-O(5) bond lengths are 2.69 Å. In the third Ca site, Ca(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. All Ca(3)-O(4) bond lengths are 2.70 Å. All Ca(3)-O(6) bond lengths are 2.70 Å. All Ca(3)-O(5) bond lengths are 2.70 Å. Mg(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form MgO12 cuboctahedra that share corners with twelve equivalent Ca(2)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. All Mg(1)-O(1) bond lengths are 2.67 Å. All Mg(1)-O(3) bond lengths are 2.67 Å. All Mg(1)-O(2) bond lengths are 2.67 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mn(1)-O(1) bond length is 1.87 Å. The Mn(1)-O(4) bond length is 1.88 Å. Both Mn(1)-O(2) bond lengths are 1.91 Å. Both Mn(1)-O(5) bond lengths are 1.91 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mn(2)-O(3) bond length is 1.90 Å. The Mn(2)-O(6) bond length is 1.91 Å. Both Mn(2)-O(2) bond lengths are 1.90 Å. Both Mn(2)-O(5) bond lengths are 1.90 Å. In the third Mn site, Mn(3) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Mn(3)-O(3) bond lengths are 1.90 Å. All Mn(3)-O(6) bond lengths are 1.91 Å. Fe(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra,  a faceface with one Mg(1)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Fe(1)-O(1) bond lengths are 1.93 Å. All Fe(1)-O(4) bond lengths are 1.94 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ca(2), two equivalent Ca(1), one Mg(1), one Mn(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ca(2), two equivalent Ca(1), one Mg(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ca(2), two equivalent Ca(1), one Mg(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ca(1), one Ca(3), two equivalent Ca(2), one Mn(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ca(1), one Ca(3), two equivalent Ca(2), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ca(1), one Ca(3), two equivalent Ca(2), one Mn(2), and one Mn(3) atom.