Sr10Fe10O29 crystallizes in the orthorhombic Pmmm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(10), one O(12), one O(13), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded to one O(10), one O(11), one O(13), one O(14), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with five equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(6)O6 octahedra. In the third Sr site, Sr(3) is bonded in a distorted q6 geometry to two equivalent O(12), two equivalent O(8), two equivalent O(9), and four equivalent O(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(9) atoms to form FeO5 square pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(10), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Fe(1)O5 square pyramid, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)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(11), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and faces with eight equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Fe site, Fe(4) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fifth Fe site, Fe(5) is bonded to one O(6), one O(7), two equivalent O(13), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four 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(14), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and faces with eight equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(2), and one Fe(5) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the third O site, O(3) is bonded to four equivalent Sr(2), one Fe(3), and one Fe(6) atom 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 fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to four equivalent Sr(2), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one Fe(4), and one Fe(5) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the seventh O site, O(7) is bonded to four equivalent Sr(2), one Fe(5), and one Fe(6) atom 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 four equivalent Sr(3) and two equivalent Fe(4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(1) atoms. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the thirteenth O site, O(13) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(5) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the fourteenth O site, O(14) is bonded to four equivalent Sr(2) and two equivalent Fe(6) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Sr10Fe10O29 crystallizes in the orthorhombic Pmmm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(10), one O(12), one O(13), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(1)O5 square pyramids. The Sr(1)-O(10) bond length is 2.76 Å. The Sr(1)-O(12) bond length is 2.79 Å. The Sr(1)-O(13) bond length is 2.71 Å. The Sr(1)-O(9) bond length is 3.03 Å. Both Sr(1)-O(1) bond lengths are 2.90 Å. Both Sr(1)-O(2) bond lengths are 2.73 Å. Both Sr(1)-O(4) bond lengths are 2.79 Å. Both Sr(1)-O(6) bond lengths are 2.75 Å. In the second Sr site, Sr(2) is bonded to one O(10), one O(11), one O(13), one O(14), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with five equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(6)O6 octahedra. The Sr(2)-O(10) bond length is 2.80 Å. The Sr(2)-O(11) bond length is 2.78 Å. The Sr(2)-O(13) bond length is 2.80 Å. The Sr(2)-O(14) bond length is 2.77 Å. Both Sr(2)-O(2) bond lengths are 2.79 Å. Both Sr(2)-O(3) bond lengths are 2.77 Å. Both Sr(2)-O(5) bond lengths are 2.77 Å. Both Sr(2)-O(7) bond lengths are 2.77 Å. In the third Sr site, Sr(3) is bonded in a distorted q6 geometry to two equivalent O(12), two equivalent O(8), two equivalent O(9), and four equivalent O(1) atoms. Both Sr(3)-O(12) bond lengths are 2.69 Å. Both Sr(3)-O(8) bond lengths are 2.68 Å. Both Sr(3)-O(9) bond lengths are 2.70 Å. All Sr(3)-O(1) bond lengths are 2.69 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(9) atoms to form FeO5 square pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. The Fe(1)-O(4) bond length is 1.88 Å. Both Fe(1)-O(1) bond lengths are 1.90 Å. Both Fe(1)-O(9) bond lengths are 1.99 Å. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(10), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Fe(1)O5 square pyramid, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. The Fe(2)-O(4) bond length is 1.97 Å. The Fe(2)-O(5) bond length is 1.92 Å. Both Fe(2)-O(10) bond lengths are 1.95 Å. Both Fe(2)-O(2) bond lengths are 1.97 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and faces with eight equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(3)-O(11) bond lengths are 1.95 Å. Both Fe(3)-O(3) bond lengths are 1.95 Å. Both Fe(3)-O(5) bond lengths are 1.99 Å. In the fourth Fe site, Fe(4) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. The Fe(4)-O(6) bond length is 1.93 Å. The Fe(4)-O(8) bond length is 1.97 Å. Both Fe(4)-O(1) bond lengths are 2.05 Å. Both Fe(4)-O(12) bond lengths are 1.95 Å. In the fifth Fe site, Fe(5) is bonded to one O(6), one O(7), two equivalent O(13), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Fe(5)-O(6) bond length is 2.01 Å. The Fe(5)-O(7) bond length is 1.98 Å. Both Fe(5)-O(13) bond lengths are 1.95 Å. Both Fe(5)-O(2) bond lengths are 1.96 Å. In the sixth Fe site, Fe(6) is bonded to two equivalent O(14), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and faces with eight equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(6)-O(14) bond lengths are 1.95 Å. Both Fe(6)-O(3) bond lengths are 1.97 Å. Both Fe(6)-O(7) bond lengths are 1.95 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(2), and one Fe(5) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the third O site, O(3) is bonded to four equivalent Sr(2), one Fe(3), and one Fe(6) atom 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 fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to four equivalent Sr(2), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one Fe(4), and one Fe(5) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the seventh O site, O(7) is bonded to four equivalent Sr(2), one Fe(5), and one Fe(6) atom 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 four equivalent Sr(3) and two equivalent Fe(4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(1) atoms. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the thirteenth O site, O(13) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(5) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the fourteenth O site, O(14) is bonded to four equivalent Sr(2) and two equivalent Fe(6) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.