BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(4), two equivalent O(6), and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Fe(3)O6 octahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(5), one O(6), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(4), three equivalent O(5), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with five equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with six equivalent Fe(2)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Fe site, Fe(3) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are six inequivalent O sites. In the first O site, O(6) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Fe(3) atoms to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(6)Ba2Sr2Fe2 octahedra, corners with eight equivalent O(1)Ba2Sr2Fe2 octahedra, edges with four equivalent O(4)BaSr3Fe2 octahedra, and faces with eight equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(3) atom to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(6)Ba2Sr2Fe2 octahedra, corners with two equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(4)BaSr3Fe2 octahedra, corners with nine equivalent O(1)Ba2Sr2Fe2 octahedra, edges with three equivalent O(1)Ba2Sr2Fe2 octahedra, faces with two equivalent O(6)Ba2Sr2Fe2 octahedra, faces with two equivalent O(4)BaSr3Fe2 octahedra, and faces with three equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(2) is bonded to four equivalent Sr(2) and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with four equivalent O(4)BaSr3Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 60°. In the fourth O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Fe(2) atom. In the fifth O site, O(4) 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  a cornercorner with one O(5)Sr4Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with five equivalent O(4)BaSr3Fe2 octahedra, corners with eight equivalent O(1)Ba2Sr2Fe2 octahedra, edges with two equivalent O(6)Ba2Sr2Fe2 octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra, and faces with four equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixth O site, O(5) is bonded to one Sr(1), three equivalent Sr(2), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(6)Ba2Sr2Fe2 octahedra,  a cornercorner with one O(4)BaSr3Fe2 octahedra, corners with four equivalent O(1)Ba2Sr2Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(4)BaSr3Fe2 octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(4), two equivalent O(6), and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Fe(3)O6 octahedra. Both Ba(1)-O(4) bond lengths are 2.87 Å. Both Ba(1)-O(6) bond lengths are 2.79 Å. All Ba(1)-O(1) bond lengths are 2.83 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(5), one O(6), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. The Sr(1)-O(5) bond length is 2.78 Å. The Sr(1)-O(6) bond length is 2.81 Å. Both Sr(1)-O(4) bond lengths are 2.79 Å. All Sr(1)-O(1) bond lengths are 2.75 Å. All Sr(1)-O(3) bond lengths are 2.79 Å. In the second Sr site, Sr(2) is bonded to one O(4), three equivalent O(5), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with five equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with six equivalent Fe(2)O6 octahedra. The Sr(2)-O(4) bond length is 2.72 Å. There is one shorter (2.76 Å) and two longer (2.79 Å) Sr(2)-O(5) bond lengths. All Sr(2)-O(2) bond lengths are 2.78 Å. All Sr(2)-O(3) bond lengths are 2.78 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Both Fe(1)-O(1) bond lengths are 1.97 Å. Both Fe(1)-O(3) bond lengths are 1.97 Å. Both Fe(1)-O(4) bond lengths are 1.97 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(2)-O(2) bond lengths are 1.96 Å. Both Fe(2)-O(3) bond lengths are 1.96 Å. Both Fe(2)-O(5) bond lengths are 1.97 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Both Fe(3)-O(6) bond lengths are 1.97 Å. All Fe(3)-O(1) bond lengths are 2.00 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Fe(3) atoms to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(6)Ba2Sr2Fe2 octahedra, corners with eight equivalent O(1)Ba2Sr2Fe2 octahedra, edges with four equivalent O(4)BaSr3Fe2 octahedra, and faces with eight equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(3) atom to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(6)Ba2Sr2Fe2 octahedra, corners with two equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(4)BaSr3Fe2 octahedra, corners with nine equivalent O(1)Ba2Sr2Fe2 octahedra, edges with three equivalent O(1)Ba2Sr2Fe2 octahedra, faces with two equivalent O(6)Ba2Sr2Fe2 octahedra, faces with two equivalent O(4)BaSr3Fe2 octahedra, and faces with three equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(2) is bonded to four equivalent Sr(2) and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with four equivalent O(4)BaSr3Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 60°. In the fourth O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Fe(2) atom. In the fifth O site, O(4) 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  a cornercorner with one O(5)Sr4Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with five equivalent O(4)BaSr3Fe2 octahedra, corners with eight equivalent O(1)Ba2Sr2Fe2 octahedra, edges with two equivalent O(6)Ba2Sr2Fe2 octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra, and faces with four equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixth O site, O(5) is bonded to one Sr(1), three equivalent Sr(2), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(6)Ba2Sr2Fe2 octahedra,  a cornercorner with one O(4)BaSr3Fe2 octahedra, corners with four equivalent O(1)Ba2Sr2Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(4)BaSr3Fe2 octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.