Sr6Ce2Y4Fe3(CuO8)3 crystallizes in the tetragonal P4mm space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), four equivalent O(13), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), four equivalent O(14), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(12), four equivalent O(15), and four equivalent O(6) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(13), four equivalent O(1), and four equivalent O(10) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(14), four equivalent O(11), and four equivalent O(2) atoms. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(15), four equivalent O(12), and four equivalent O(3) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(9) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(6) and four equivalent O(7) atoms. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(8) atoms. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(9) atoms. In the fourth Y site, Y(4) is bonded in a body-centered cubic geometry to four equivalent O(4) and four equivalent O(8) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10) and four equivalent O(1) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(11) and four equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. In the third Fe site, Fe(3) is bonded to one O(12) and four equivalent O(3) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(14) and four equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(15) and four equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(4), two equivalent Y(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(5), two equivalent Y(2), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(6), two equivalent Y(3), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Y(4), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(10)Sr5Fe octahedra, corners with four equivalent O(13)Sr5Cu octahedra, corners with six equivalent O(8)Y4 tetrahedra, edges with two equivalent O(4)Sr2Y2Cu2 octahedra,  an edgeedge with one O(8)Y4 tetrahedra, faces with two equivalent O(13)Sr5Cu octahedra, and faces with four equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 17-52°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Ce(1), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(3), two equivalent Ce(2), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded to two equivalent Ce(2) and two equivalent Y(1) atoms to form a mixture of corner and edge-sharing OCe2Y2 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Y(2) and two equivalent Y(4) atoms to form OY4 tetrahedra that share corners with six equivalent O(4)Sr2Y2Cu2 octahedra, corners with four equivalent O(8)Y4 tetrahedra,  an edgeedge with one O(4)Sr2Y2Cu2 octahedra, and edges with four equivalent O(8)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-70°. In the ninth O site, O(9) is bonded to two equivalent Ce(1) and two equivalent Y(3) atoms to form a mixture of corner and edge-sharing OCe2Y2 tetrahedra. In the tenth O site, O(10) is bonded to one Sr(1), four equivalent Sr(4), and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(4)Sr2Y2Cu2 octahedra, corners with four equivalent O(10)Sr5Fe octahedra, edges with four equivalent O(13)Sr5Cu octahedra, and edges with four equivalent O(10)Sr5Fe octahedra. The corner-sharing octahedral tilt angles range from 4-45°. In the eleventh O site, O(11) is bonded to one Sr(2), four equivalent Sr(5), and one Fe(2) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(11)Sr5Fe octahedra, edges with four equivalent O(14)Sr5Cu octahedra, and edges with four equivalent O(11)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 8°. In the twelfth O site, O(12) is bonded to one Sr(3), four equivalent Sr(6), and one Fe(3) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(12)Sr5Fe octahedra, edges with four equivalent O(15)Sr5Cu octahedra, and edges with four equivalent O(12)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 6°. In the thirteenth O site, O(13) is bonded to one Sr(4), four equivalent Sr(1), and one Cu(1) atom to form distorted OSr5Cu octahedra that share corners with four equivalent O(13)Sr5Cu octahedra, corners with eight equivalent O(4)Sr2Y2Cu2 octahedra, edges with four equivalent O(13)Sr5Cu octahedra, edges with four equivalent O(10)Sr5Fe octahedra, and faces with four equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-52°. In the fourteenth O site, O(14) is bonded to one Sr(5), four equivalent Sr(2), and one Cu(2) atom to form OSr5Cu octahedra that share corners with four equivalent O(14)Sr5Cu octahedra, edges with four equivalent O(14)Sr5Cu octahedra, and edges with four equivalent O(11)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 14°. In the fifteenth O site, O(15) is bonded to one Sr(6), four equivalent Sr(3), and one Cu(3) atom to form distorted OSr5Cu octahedra that share corners with four equivalent O(15)Sr5Cu octahedra, edges with four equivalent O(15)Sr5Cu octahedra, and edges with four equivalent O(12)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 16°.
Sr6Ce2Y4Fe3(CuO8)3 crystallizes in the tetragonal P4mm space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), four equivalent O(13), and four equivalent O(4) atoms. The Sr(1)-O(10) bond length is 2.70 Å. All Sr(1)-O(13) bond lengths are 2.77 Å. All Sr(1)-O(4) bond lengths are 2.73 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), four equivalent O(14), and four equivalent O(5) atoms. The Sr(2)-O(11) bond length is 2.53 Å. All Sr(2)-O(14) bond lengths are 2.75 Å. All Sr(2)-O(5) bond lengths are 2.92 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(12), four equivalent O(15), and four equivalent O(6) atoms. The Sr(3)-O(12) bond length is 2.59 Å. All Sr(3)-O(15) bond lengths are 2.76 Å. All Sr(3)-O(6) bond lengths are 2.88 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(13), four equivalent O(1), and four equivalent O(10) atoms. The Sr(4)-O(13) bond length is 2.32 Å. All Sr(4)-O(1) bond lengths are 2.98 Å. All Sr(4)-O(10) bond lengths are 2.73 Å. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(14), four equivalent O(11), and four equivalent O(2) atoms. The Sr(5)-O(14) bond length is 2.41 Å. All Sr(5)-O(11) bond lengths are 2.74 Å. All Sr(5)-O(2) bond lengths are 2.85 Å. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(15), four equivalent O(12), and four equivalent O(3) atoms. The Sr(6)-O(15) bond length is 2.34 Å. All Sr(6)-O(12) bond lengths are 2.74 Å. All Sr(6)-O(3) bond lengths are 2.94 Å. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(9) atoms. All Ce(1)-O(5) bond lengths are 2.47 Å. All Ce(1)-O(9) bond lengths are 2.31 Å. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(6) and four equivalent O(7) atoms. All Ce(2)-O(6) bond lengths are 2.48 Å. All Ce(2)-O(7) bond lengths are 2.31 Å. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(7) atoms. All Y(1)-O(1) bond lengths are 2.47 Å. All Y(1)-O(7) bond lengths are 2.32 Å. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(8) atoms. All Y(2)-O(2) bond lengths are 2.61 Å. All Y(2)-O(8) bond lengths are 2.25 Å. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(9) atoms. All Y(3)-O(3) bond lengths are 2.49 Å. All Y(3)-O(9) bond lengths are 2.31 Å. In the fourth Y site, Y(4) is bonded in a body-centered cubic geometry to four equivalent O(4) and four equivalent O(8) atoms. All Y(4)-O(4) bond lengths are 2.60 Å. All Y(4)-O(8) bond lengths are 2.27 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10) and four equivalent O(1) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. The Fe(1)-O(10) bond length is 1.90 Å. All Fe(1)-O(1) bond lengths are 1.99 Å. In the second Fe site, Fe(2) is bonded to one O(11) and four equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. The Fe(2)-O(11) bond length is 1.92 Å. All Fe(2)-O(2) bond lengths are 1.97 Å. In the third Fe site, Fe(3) is bonded to one O(12) and four equivalent O(3) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. The Fe(3)-O(12) bond length is 1.91 Å. All Fe(3)-O(3) bond lengths are 1.99 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(13) bond length is 2.11 Å. All Cu(1)-O(4) bond lengths are 1.95 Å. In the second Cu site, Cu(2) is bonded to one O(14) and four equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(2)-O(14) bond length is 2.12 Å. All Cu(2)-O(5) bond lengths are 1.97 Å. In the third Cu site, Cu(3) is bonded to one O(15) and four equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. The Cu(3)-O(15) bond length is 2.16 Å. All Cu(3)-O(6) bond lengths are 1.97 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(4), two equivalent Y(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(5), two equivalent Y(2), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(6), two equivalent Y(3), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Y(4), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(10)Sr5Fe octahedra, corners with four equivalent O(13)Sr5Cu octahedra, corners with six equivalent O(8)Y4 tetrahedra, edges with two equivalent O(4)Sr2Y2Cu2 octahedra,  an edgeedge with one O(8)Y4 tetrahedra, faces with two equivalent O(13)Sr5Cu octahedra, and faces with four equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 17-52°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Ce(1), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(3), two equivalent Ce(2), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded to two equivalent Ce(2) and two equivalent Y(1) atoms to form a mixture of corner and edge-sharing OCe2Y2 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Y(2) and two equivalent Y(4) atoms to form OY4 tetrahedra that share corners with six equivalent O(4)Sr2Y2Cu2 octahedra, corners with four equivalent O(8)Y4 tetrahedra,  an edgeedge with one O(4)Sr2Y2Cu2 octahedra, and edges with four equivalent O(8)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-70°. In the ninth O site, O(9) is bonded to two equivalent Ce(1) and two equivalent Y(3) atoms to form a mixture of corner and edge-sharing OCe2Y2 tetrahedra. In the tenth O site, O(10) is bonded to one Sr(1), four equivalent Sr(4), and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(4)Sr2Y2Cu2 octahedra, corners with four equivalent O(10)Sr5Fe octahedra, edges with four equivalent O(13)Sr5Cu octahedra, and edges with four equivalent O(10)Sr5Fe octahedra. The corner-sharing octahedral tilt angles range from 4-45°. In the eleventh O site, O(11) is bonded to one Sr(2), four equivalent Sr(5), and one Fe(2) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(11)Sr5Fe octahedra, edges with four equivalent O(14)Sr5Cu octahedra, and edges with four equivalent O(11)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 8°. In the twelfth O site, O(12) is bonded to one Sr(3), four equivalent Sr(6), and one Fe(3) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(12)Sr5Fe octahedra, edges with four equivalent O(15)Sr5Cu octahedra, and edges with four equivalent O(12)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 6°. In the thirteenth O site, O(13) is bonded to one Sr(4), four equivalent Sr(1), and one Cu(1) atom to form distorted OSr5Cu octahedra that share corners with four equivalent O(13)Sr5Cu octahedra, corners with eight equivalent O(4)Sr2Y2Cu2 octahedra, edges with four equivalent O(13)Sr5Cu octahedra, edges with four equivalent O(10)Sr5Fe octahedra, and faces with four equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-52°. In the fourteenth O site, O(14) is bonded to one Sr(5), four equivalent Sr(2), and one Cu(2) atom to form OSr5Cu octahedra that share corners with four equivalent O(14)Sr5Cu octahedra, edges with four equivalent O(14)Sr5Cu octahedra, and edges with four equivalent O(11)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 14°. In the fifteenth O site, O(15) is bonded to one Sr(6), four equivalent Sr(3), and one Cu(3) atom to form distorted OSr5Cu octahedra that share corners with four equivalent O(15)Sr5Cu octahedra, edges with four equivalent O(15)Sr5Cu octahedra, and edges with four equivalent O(12)Sr5Fe octahedra. The corner-sharing octahedral tilt angles are 16°.