BaSr7(FeO3)8 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) 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 Ba(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(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, and faces with eight equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to twelve equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)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 O sites. In the first O site, O(1) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), and two equivalent Fe(1) atoms to form distorted OBaSr3Fe2 octahedra that share corners with ten equivalent O(2)Sr4Fe2 octahedra, corners with twelve equivalent O(1)BaSr3Fe2 octahedra, edges with four equivalent O(1)BaSr3Fe2 octahedra, faces with four equivalent O(1)BaSr3Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with ten equivalent O(1)BaSr3Fe2 octahedra, corners with twelve equivalent O(2)Sr4Fe2 octahedra, edges with four equivalent O(2)Sr4Fe2 octahedra, faces with four equivalent O(1)BaSr3Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
BaSr7(FeO3)8 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.83 Å. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) 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 Ba(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.79 Å. All Sr(1)-O(1) bond lengths are 2.78 Å. In the second Sr site, Sr(2) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(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, and faces with eight equivalent Fe(1)O6 octahedra. All Sr(2)-O(1) bond lengths are 2.73 Å. All Sr(2)-O(2) bond lengths are 2.78 Å. In the third Sr site, Sr(3) is bonded to twelve equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Sr(3)-O(2) bond lengths are 2.77 Å. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)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 Fe(1)-O(1) bond lengths are 1.98 Å. All Fe(1)-O(2) bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), and two equivalent Fe(1) atoms to form distorted OBaSr3Fe2 octahedra that share corners with ten equivalent O(2)Sr4Fe2 octahedra, corners with twelve equivalent O(1)BaSr3Fe2 octahedra, edges with four equivalent O(1)BaSr3Fe2 octahedra, faces with four equivalent O(1)BaSr3Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with ten equivalent O(1)BaSr3Fe2 octahedra, corners with twelve equivalent O(2)Sr4Fe2 octahedra, edges with four equivalent O(2)Sr4Fe2 octahedra, faces with four equivalent O(1)BaSr3Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.