BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(5), and four equivalent O(6) 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 two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(4), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) 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,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(5)O6 octahedra,  a faceface with one Fe(6)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(3), two equivalent O(7), two equivalent O(8), three equivalent O(4), and four equivalent O(2) 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,  a faceface with one Fe(3)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, faces with three equivalent Fe(5)O6 octahedra, and faces with three equivalent Fe(6)O6 octahedra. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(4)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 0-4°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)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°. In the third Fe site, Fe(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)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 0-4°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)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 2-4°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(5)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. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(2) atom to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(1)Ba2Sr2Fe2 octahedra, corners with four equivalent O(5)Ba2Sr2Fe2 octahedra, corners with four equivalent O(6)Ba2Sr2Fe2 octahedra, edges with four equivalent O(3)BaSr3Fe2 octahedra, faces with four equivalent O(5)Ba2Sr2Fe2 octahedra, and faces with four equivalent O(6)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(2), one Fe(5), and one Fe(6) atom to form distorted OSr4Fe2 octahedra that share corners with four equivalent O(3)BaSr3Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the third O site, O(3) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), one Fe(3), and one Fe(4) atom to form distorted OBaSr3Fe2 octahedra that share  a cornercorner with one O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)Ba2Sr2Fe2 octahedra, corners with four equivalent O(6)Ba2Sr2Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with five equivalent O(3)BaSr3Fe2 octahedra, edges with two equivalent O(1)Ba2Sr2Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(5)Ba2Sr2Fe2 octahedra, and faces with two equivalent O(6)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the fourth O site, O(4) is bonded to one Sr(1), three equivalent Sr(2), one Fe(5), and one Fe(6) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(1)Ba2Sr2Fe2 octahedra,  a cornercorner with one O(3)BaSr3Fe2 octahedra, corners with two equivalent O(5)Ba2Sr2Fe2 octahedra, corners with two equivalent O(6)Ba2Sr2Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(3)BaSr3Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(2), and one Fe(3) atom to form distorted OBa2Sr2Fe2 octahedra that share  a cornercorner with one O(5)Ba2Sr2Fe2 octahedra, corners with two equivalent O(1)Ba2Sr2Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)BaSr3Fe2 octahedra, corners with eight equivalent O(6)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(5)Ba2Sr2Fe2 octahedra, edges with two equivalent O(6)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba2Sr2Fe2 octahedra, faces with two equivalent O(3)BaSr3Fe2 octahedra, and faces with three equivalent O(5)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(4) atom to form distorted OBa2Sr2Fe2 octahedra that share  a cornercorner with one O(6)Ba2Sr2Fe2 octahedra, corners with two equivalent O(1)Ba2Sr2Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)BaSr3Fe2 octahedra, corners with eight equivalent O(5)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(6)Ba2Sr2Fe2 octahedra, edges with two equivalent O(5)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba2Sr2Fe2 octahedra, faces with two equivalent O(3)BaSr3Fe2 octahedra, and faces with three equivalent O(6)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(4), and one Fe(5) atom.
BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(5), and four equivalent O(6) 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 two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. Both Ba(1)-O(1) bond lengths are 2.79 Å. Both Ba(1)-O(3) bond lengths are 2.89 Å. All Ba(1)-O(5) bond lengths are 2.84 Å. All Ba(1)-O(6) bond lengths are 2.84 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(4), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) 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,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(5)O6 octahedra,  a faceface with one Fe(6)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. The Sr(1)-O(1) bond length is 2.80 Å. The Sr(1)-O(4) bond length is 2.78 Å. Both Sr(1)-O(3) bond lengths are 2.79 Å. Both Sr(1)-O(5) bond lengths are 2.75 Å. Both Sr(1)-O(6) bond lengths are 2.74 Å. Both Sr(1)-O(7) bond lengths are 2.80 Å. Both Sr(1)-O(8) bond lengths are 2.80 Å. In the second Sr site, Sr(2) is bonded to one O(3), two equivalent O(7), two equivalent O(8), three equivalent O(4), and four equivalent O(2) 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,  a faceface with one Fe(3)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, faces with three equivalent Fe(5)O6 octahedra, and faces with three equivalent Fe(6)O6 octahedra. The Sr(2)-O(3) bond length is 2.69 Å. Both Sr(2)-O(7) bond lengths are 2.77 Å. Both Sr(2)-O(8) bond lengths are 2.76 Å. There is one shorter (2.77 Å) and two longer (2.79 Å) Sr(2)-O(4) bond lengths. There are two shorter (2.78 Å) and two longer (2.79 Å) Sr(2)-O(2) bond lengths. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(4)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 0-4°. Both Fe(1)-O(1) bond lengths are 2.02 Å. All Fe(1)-O(6) bond lengths are 2.03 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)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(2)-O(1) bond lengths are 1.92 Å. All Fe(2)-O(5) bond lengths are 2.01 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)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 0-4°. Both Fe(3)-O(3) bond lengths are 1.94 Å. Both Fe(3)-O(5) bond lengths are 1.96 Å. Both Fe(3)-O(7) bond lengths are 1.97 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)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 2-4°. Both Fe(4)-O(3) bond lengths are 2.00 Å. Both Fe(4)-O(6) bond lengths are 1.93 Å. Both Fe(4)-O(8) bond lengths are 1.99 Å. In the fifth Fe site, Fe(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Fe(5)-O(2) bond lengths are 1.96 Å. Both Fe(5)-O(4) bond lengths are 1.97 Å. Both Fe(5)-O(8) bond lengths are 1.94 Å. In the sixth Fe site, Fe(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(5)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(6)-O(2) bond lengths are 1.96 Å. Both Fe(6)-O(4) bond lengths are 1.97 Å. Both Fe(6)-O(7) bond lengths are 1.95 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(2) atom to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(1)Ba2Sr2Fe2 octahedra, corners with four equivalent O(5)Ba2Sr2Fe2 octahedra, corners with four equivalent O(6)Ba2Sr2Fe2 octahedra, edges with four equivalent O(3)BaSr3Fe2 octahedra, faces with four equivalent O(5)Ba2Sr2Fe2 octahedra, and faces with four equivalent O(6)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(2), one Fe(5), and one Fe(6) atom to form distorted OSr4Fe2 octahedra that share corners with four equivalent O(3)BaSr3Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the third O site, O(3) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), one Fe(3), and one Fe(4) atom to form distorted OBaSr3Fe2 octahedra that share  a cornercorner with one O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)Ba2Sr2Fe2 octahedra, corners with four equivalent O(6)Ba2Sr2Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with five equivalent O(3)BaSr3Fe2 octahedra, edges with two equivalent O(1)Ba2Sr2Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(5)Ba2Sr2Fe2 octahedra, and faces with two equivalent O(6)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the fourth O site, O(4) is bonded to one Sr(1), three equivalent Sr(2), one Fe(5), and one Fe(6) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(1)Ba2Sr2Fe2 octahedra,  a cornercorner with one O(3)BaSr3Fe2 octahedra, corners with two equivalent O(5)Ba2Sr2Fe2 octahedra, corners with two equivalent O(6)Ba2Sr2Fe2 octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(3)BaSr3Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(2), and one Fe(3) atom to form distorted OBa2Sr2Fe2 octahedra that share  a cornercorner with one O(5)Ba2Sr2Fe2 octahedra, corners with two equivalent O(1)Ba2Sr2Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)BaSr3Fe2 octahedra, corners with eight equivalent O(6)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(5)Ba2Sr2Fe2 octahedra, edges with two equivalent O(6)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba2Sr2Fe2 octahedra, faces with two equivalent O(3)BaSr3Fe2 octahedra, and faces with three equivalent O(5)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(4) atom to form distorted OBa2Sr2Fe2 octahedra that share  a cornercorner with one O(6)Ba2Sr2Fe2 octahedra, corners with two equivalent O(1)Ba2Sr2Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)BaSr3Fe2 octahedra, corners with eight equivalent O(5)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(6)Ba2Sr2Fe2 octahedra, edges with two equivalent O(5)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba2Sr2Fe2 octahedra, faces with two equivalent O(3)BaSr3Fe2 octahedra, and faces with three equivalent O(6)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(4), and one Fe(5) atom.