BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(8), and four equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(5)O6 octahedra. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(10), four equivalent O(2), and four equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(5)O6 octahedra, and faces with four equivalent Fe(6)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(11), four equivalent O(3), and four equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to four equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra; corners with eight equivalent Sr(3)O12 cuboctahedra;  a faceface with one Sr(1)O12 cuboctahedra; faces with five equivalent Sr(3)O12 cuboctahedra; faces with four equivalent Fe(1,4)O6 octahedra; and faces with four equivalent Fe(6)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to four equivalent O(11), four equivalent O(5), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra; corners with eight equivalent Sr(4)O12 cuboctahedra;  a faceface with one Sr(2)O12 cuboctahedra; faces with five equivalent Sr(4)O12 cuboctahedra; faces with four equivalent Fe(1,4)O6 octahedra; and faces with four equivalent Fe(3)O6 octahedra. There are five inequivalent Fe sites. In the first Fe site, Fe(1,4) is bonded to two equivalent O(5) and four equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra; corners with four equivalent Fe(1,4)O6 octahedra; and faces with eight equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), and four equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), and four equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1,4)O6 octahedra;  a cornercorner with one Fe(2)O6 octahedra; corners with four equivalent Fe(3)O6 octahedra; faces with four equivalent Sr(2)O12 cuboctahedra; and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Fe site, Fe(5) is bonded to one O(1), one O(2), and four equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with four equivalent Fe(5)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 0-5°. In the fifth Fe site, Fe(6) is bonded to one O(2), one O(4), and four equivalent O(10) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1,4)O6 octahedra;  a cornercorner with one Fe(5)O6 octahedra; corners with four equivalent Fe(6)O6 octahedra; faces with four equivalent Sr(1)O12 cuboctahedra; and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Fe(2), and one Fe(5) atom to form distorted OBa4Fe2 octahedra that share corners with four equivalent O(1)Ba4Fe2 octahedra, corners with eight equivalent O(8)Ba2Sr2Fe2 octahedra, corners with eight equivalent O(9)Ba2Sr2Fe2 octahedra, edges with four equivalent O(1)Ba4Fe2 octahedra, faces with four equivalent O(8)Ba2Sr2Fe2 octahedra, and faces with four equivalent O(9)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(2), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(3); one Fe(1,4); and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Sr(4); one Fe(1,4); and one Fe(3) atom. In the sixth O site, O(6) is bonded to four equivalent Sr(3) and two equivalent Fe(1,4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the seventh O site, O(7) is bonded to four equivalent Sr(4) and two equivalent Fe(1,4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Fe(5) atoms to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(8)Ba2Sr2Fe2 octahedra, corners with four equivalent O(1)Ba4Fe2 octahedra, corners with six equivalent O(9)Ba2Sr2Fe2 octahedra, corners with six equivalent O(10)Sr4Fe2 octahedra,  an edgeedge with one O(9)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(10)Sr4Fe2 octahedra, edges with two equivalent O(8)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba4Fe2 octahedra, and faces with four equivalent O(8)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Sr(2), and two equivalent Fe(2) atoms to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(9)Ba2Sr2Fe2 octahedra, corners with four equivalent O(1)Ba4Fe2 octahedra, corners with six equivalent O(8)Ba2Sr2Fe2 octahedra, corners with six equivalent O(11)Sr4Fe2 octahedra,  an edgeedge with one O(8)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(11)Sr4Fe2 octahedra, edges with two equivalent O(9)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba4Fe2 octahedra, and faces with four equivalent O(9)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the tenth O site, O(10) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(6) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(10)Sr4Fe2 octahedra, corners with six equivalent O(8)Ba2Sr2Fe2 octahedra, corners with six equivalent O(6)Sr4Fe2 octahedra,  an edgeedge with one O(8)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(6)Sr4Fe2 octahedra, edges with two equivalent O(10)Sr4Fe2 octahedra, and faces with four equivalent O(10)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the eleventh O site, O(11) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Fe(3) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(11)Sr4Fe2 octahedra, corners with six equivalent O(9)Ba2Sr2Fe2 octahedra, corners with six equivalent O(7)Sr4Fe2 octahedra,  an edgeedge with one O(9)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(7)Sr4Fe2 octahedra, edges with two equivalent O(11)Sr4Fe2 octahedra, and faces with four equivalent O(11)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(8), and four equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(5)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.78 Å. All Ba(1)-O(8) bond lengths are 2.88 Å. All Ba(1)-O(9) bond lengths are 2.88 Å. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(10), four equivalent O(2), and four equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(5)O6 octahedra, and faces with four equivalent Fe(6)O6 octahedra. All Sr(1)-O(10) bond lengths are 2.79 Å. All Sr(1)-O(2) bond lengths are 2.78 Å. All Sr(1)-O(8) bond lengths are 2.73 Å. In the second Sr site, Sr(2) is bonded to four equivalent O(11), four equivalent O(3), and four equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(3)O6 octahedra. All Sr(2)-O(11) bond lengths are 2.79 Å. All Sr(2)-O(3) bond lengths are 2.78 Å. All Sr(2)-O(9) bond lengths are 2.73 Å. In the third Sr site, Sr(3) is bonded to four equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra; corners with eight equivalent Sr(3)O12 cuboctahedra;  a faceface with one Sr(1)O12 cuboctahedra; faces with five equivalent Sr(3)O12 cuboctahedra; faces with four equivalent Fe(1,4)O6 octahedra; and faces with four equivalent Fe(6)O6 octahedra. All Sr(3)-O(10) bond lengths are 2.76 Å. All Sr(3)-O(4) bond lengths are 2.78 Å. All Sr(3)-O(6) bond lengths are 2.77 Å. In the fourth Sr site, Sr(4) is bonded to four equivalent O(11), four equivalent O(5), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra; corners with eight equivalent Sr(4)O12 cuboctahedra;  a faceface with one Sr(2)O12 cuboctahedra; faces with five equivalent Sr(4)O12 cuboctahedra; faces with four equivalent Fe(1,4)O6 octahedra; and faces with four equivalent Fe(3)O6 octahedra. All Sr(4)-O(11) bond lengths are 2.76 Å. All Sr(4)-O(5) bond lengths are 2.78 Å. All Sr(4)-O(7) bond lengths are 2.77 Å. There are five inequivalent Fe sites. In the first Fe site, Fe(1,4) is bonded to two equivalent O(5) and four equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra; corners with four equivalent Fe(1,4)O6 octahedra; and faces with eight equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(1,4)-O(5) bond lengths are 1.96 Å. All Fe(1,4)-O(7) bond lengths are 1.96 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), and four equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. The Fe(2)-O(1) bond length is 2.03 Å. The Fe(2)-O(3) bond length is 2.03 Å. All Fe(2)-O(9) bond lengths are 1.97 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), and four equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1,4)O6 octahedra;  a cornercorner with one Fe(2)O6 octahedra; corners with four equivalent Fe(3)O6 octahedra; faces with four equivalent Sr(2)O12 cuboctahedra; and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Fe(3)-O(3) bond length is 1.90 Å. The Fe(3)-O(5) bond length is 1.95 Å. All Fe(3)-O(11) bond lengths are 1.97 Å. In the fourth Fe site, Fe(5) is bonded to one O(1), one O(2), and four equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with four equivalent Fe(5)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 0-5°. The Fe(5)-O(1) bond length is 2.02 Å. The Fe(5)-O(2) bond length is 2.03 Å. All Fe(5)-O(8) bond lengths are 1.97 Å. In the fifth Fe site, Fe(6) is bonded to one O(2), one O(4), and four equivalent O(10) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1,4)O6 octahedra;  a cornercorner with one Fe(5)O6 octahedra; corners with four equivalent Fe(6)O6 octahedra; faces with four equivalent Sr(1)O12 cuboctahedra; and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Fe(6)-O(2) bond length is 1.91 Å. The Fe(6)-O(4) bond length is 1.95 Å. All Fe(6)-O(10) bond lengths are 1.97 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Fe(2), and one Fe(5) atom to form distorted OBa4Fe2 octahedra that share corners with four equivalent O(1)Ba4Fe2 octahedra, corners with eight equivalent O(8)Ba2Sr2Fe2 octahedra, corners with eight equivalent O(9)Ba2Sr2Fe2 octahedra, edges with four equivalent O(1)Ba4Fe2 octahedra, faces with four equivalent O(8)Ba2Sr2Fe2 octahedra, and faces with four equivalent O(9)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(2), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(3); one Fe(1,4); and one Fe(6) atom. The O(4)-Fe(1,4) bond length is 1.96 Å. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Sr(4); one Fe(1,4); and one Fe(3) atom. In the sixth O site, O(6) is bonded to four equivalent Sr(3) and two equivalent Fe(1,4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Both O(6)-Fe(1,4) bond lengths are 1.96 Å. In the seventh O site, O(7) is bonded to four equivalent Sr(4) and two equivalent Fe(1,4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Fe(5) atoms to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(8)Ba2Sr2Fe2 octahedra, corners with four equivalent O(1)Ba4Fe2 octahedra, corners with six equivalent O(9)Ba2Sr2Fe2 octahedra, corners with six equivalent O(10)Sr4Fe2 octahedra,  an edgeedge with one O(9)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(10)Sr4Fe2 octahedra, edges with two equivalent O(8)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba4Fe2 octahedra, and faces with four equivalent O(8)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Sr(2), and two equivalent Fe(2) atoms to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(9)Ba2Sr2Fe2 octahedra, corners with four equivalent O(1)Ba4Fe2 octahedra, corners with six equivalent O(8)Ba2Sr2Fe2 octahedra, corners with six equivalent O(11)Sr4Fe2 octahedra,  an edgeedge with one O(8)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(11)Sr4Fe2 octahedra, edges with two equivalent O(9)Ba2Sr2Fe2 octahedra, faces with two equivalent O(1)Ba4Fe2 octahedra, and faces with four equivalent O(9)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the tenth O site, O(10) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(6) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(10)Sr4Fe2 octahedra, corners with six equivalent O(8)Ba2Sr2Fe2 octahedra, corners with six equivalent O(6)Sr4Fe2 octahedra,  an edgeedge with one O(8)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(6)Sr4Fe2 octahedra, edges with two equivalent O(10)Sr4Fe2 octahedra, and faces with four equivalent O(10)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the eleventh O site, O(11) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Fe(3) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(11)Sr4Fe2 octahedra, corners with six equivalent O(9)Ba2Sr2Fe2 octahedra, corners with six equivalent O(7)Sr4Fe2 octahedra,  an edgeedge with one O(9)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(7)Sr4Fe2 octahedra, edges with two equivalent O(11)Sr4Fe2 octahedra, and faces with four equivalent O(11)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.