Sr7CaMn4(FeO6)4 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(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 SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. In the second Sr site, Sr(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 SrO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. Ca(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Fe sites. In the first Fe site, 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 Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(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 Sr(2), two equivalent Sr(1), one Ca(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Mn(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Fe(1), and one Fe(2) atom to form distorted face-sharing OSr4Fe2 octahedra. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mn(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mn(1), and one Mn(2) atom.
Sr7CaMn4(FeO6)4 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(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 SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. The Sr(1)-O(4) bond length is 2.76 Å. The Sr(1)-O(6) bond length is 2.75 Å. Both Sr(1)-O(1) bond lengths are 2.77 Å. Both Sr(1)-O(3) bond lengths are 2.75 Å. Both Sr(1)-O(5) bond lengths are 2.75 Å. All Sr(1)-O(2) bond lengths are 2.76 Å. In the second Sr site, Sr(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 SrO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. The Sr(2)-O(1) bond length is 2.79 Å. The Sr(2)-O(3) bond length is 2.78 Å. Both Sr(2)-O(2) bond lengths are 2.79 Å. Both Sr(2)-O(4) bond lengths are 2.77 Å. Both Sr(2)-O(6) bond lengths are 2.75 Å. All Sr(2)-O(5) bond lengths are 2.76 Å. In the third Sr site, Sr(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. All Sr(3)-O(4) bond lengths are 2.77 Å. All Sr(3)-O(6) bond lengths are 2.75 Å. All Sr(3)-O(5) bond lengths are 2.76 Å. Ca(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.74 Å. All Ca(1)-O(3) bond lengths are 2.72 Å. All Ca(1)-O(2) bond lengths are 2.73 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Mn(1)-O(3) bond length is 1.95 Å. The Mn(1)-O(6) bond length is 1.96 Å. Both Mn(1)-O(2) bond lengths are 1.92 Å. Both Mn(1)-O(5) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Mn(2)-O(3) bond lengths are 1.94 Å. All Mn(2)-O(6) bond lengths are 1.95 Å. There are two inequivalent Fe sites. In the first Fe site, 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 Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Fe(1)-O(1) bond lengths are 1.92 Å. All Fe(1)-O(4) bond lengths are 1.93 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Fe(2)-O(1) bond length is 1.97 Å. The Fe(2)-O(4) bond length is 1.98 Å. Both Fe(2)-O(2) bond lengths are 1.97 Å. Both Fe(2)-O(5) bond lengths are 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Mn(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Fe(1), and one Fe(2) atom to form distorted face-sharing OSr4Fe2 octahedra. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mn(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mn(1), and one Mn(2) atom.