Sr6Y3Fe(Cu4O11)2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(10); one O(4); one O(5); two equivalent O(1); two equivalent O(11); two equivalent O(7,9); and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(10); one O(5); one O(6); two equivalent O(11); two equivalent O(2); two equivalent O(7,9); and two equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(4); one O(6); two equivalent O(12); two equivalent O(3); and four equivalent O(7,9) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(4), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Fe(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1); one O(3); one O(7,9); and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(8), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid, and corners with two equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(2); one O(3); one O(7,9); and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(11); one O(12); and two equivalent O(7,9) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Y(2), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(3), two equivalent Y(2), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Y(1), one Y(2), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(1), one Y(2), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), two equivalent Y(2), and two equivalent Cu(3) atoms. In the seventh O site, O(7,9) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Cu(1), and one Cu(4) atom to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(12)Sr4Cu2 octahedra; corners with two equivalent O(11)Sr4FeCu octahedra; corners with two equivalent O(8)Sr4FeCu octahedra; corners with three equivalent O(7,9)Sr4Cu2 octahedra;  an edgeedge with one O(8)Sr4FeCu octahedra; edges with three equivalent O(7,9)Sr4Cu2 octahedra;  a faceface with one O(12)Sr4Cu2 octahedra; and  a faceface with one O(11)Sr4FeCu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the eighth O site, O(8) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Cu(2) atom to form OSr4FeCu octahedra that share  a cornercorner with one O(8)Sr4FeCu octahedra; corners with four equivalent O(7,9)Sr4Cu2 octahedra; corners with four equivalent O(11)Sr4FeCu octahedra; edges with two equivalent O(7,9)Sr4Cu2 octahedra; edges with two equivalent O(8)Sr4FeCu octahedra; and faces with two equivalent O(11)Sr4FeCu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the ninth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the tenth O site, O(11) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Cu(4) atom to form distorted OSr4FeCu octahedra that share  a cornercorner with one O(12)Sr4Cu2 octahedra;  a cornercorner with one O(11)Sr4FeCu octahedra; corners with four equivalent O(7,9)Sr4Cu2 octahedra; corners with four equivalent O(8)Sr4FeCu octahedra; edges with two equivalent O(11)Sr4FeCu octahedra; faces with two equivalent O(7,9)Sr4Cu2 octahedra; and faces with two equivalent O(8)Sr4FeCu octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eleventh O site, O(12) is bonded to four equivalent Sr(3) and two equivalent Cu(4) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(11)Sr4FeCu octahedra; corners with eight equivalent O(7,9)Sr4Cu2 octahedra; edges with two equivalent O(12)Sr4Cu2 octahedra; and faces with four equivalent O(7,9)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
Sr6Y3Fe(Cu4O11)2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(10); one O(4); one O(5); two equivalent O(1); two equivalent O(11); two equivalent O(7,9); and two equivalent O(8) atoms. The Sr(1)-O(10) bond length is 2.75 Å. The Sr(1)-O(4) bond length is 3.08 Å. The Sr(1)-O(5) bond length is 3.04 Å. Both Sr(1)-O(1) bond lengths are 2.99 Å. Both Sr(1)-O(11) bond lengths are 2.74 Å. Both Sr(1)-O(7,9) bond lengths are 2.75 Å. Both Sr(1)-O(8) bond lengths are 2.68 Å. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(10); one O(5); one O(6); two equivalent O(11); two equivalent O(2); two equivalent O(7,9); and two equivalent O(8) atoms. The Sr(2)-O(10) bond length is 2.75 Å. The Sr(2)-O(5) bond length is 3.04 Å. The Sr(2)-O(6) bond length is 3.09 Å. Both Sr(2)-O(11) bond lengths are 2.74 Å. Both Sr(2)-O(2) bond lengths are 2.99 Å. Both Sr(2)-O(7,9) bond lengths are 2.75 Å. Both Sr(2)-O(8) bond lengths are 2.68 Å. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(4); one O(6); two equivalent O(12); two equivalent O(3); and four equivalent O(7,9) atoms. The Sr(3)-O(4) bond length is 2.97 Å. The Sr(3)-O(6) bond length is 2.98 Å. Both Sr(3)-O(12) bond lengths are 2.81 Å. Both Sr(3)-O(3) bond lengths are 2.90 Å. All Sr(3)-O(7,9) bond lengths are 2.70 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Both Y(1)-O(4) bond lengths are 2.41 Å. Both Y(1)-O(5) bond lengths are 2.39 Å. All Y(1)-O(1) bond lengths are 2.39 Å. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(4), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. The Y(2)-O(4) bond length is 2.40 Å. The Y(2)-O(5) bond length is 2.39 Å. Both Y(2)-O(2) bond lengths are 2.38 Å. Both Y(2)-O(3) bond lengths are 2.40 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Y(2)-O(6) bond length. Fe(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. Both Fe(1)-O(10) bond lengths are 1.89 Å. Both Fe(1)-O(11) bond lengths are 2.06 Å. Both Fe(1)-O(8) bond lengths are 1.94 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1); one O(3); one O(7,9); and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 1.97 Å. The Cu(1)-O(7,9) bond length is 2.10 Å. Both Cu(1)-O(4) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(8), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid, and corners with two equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. The Cu(2)-O(1) bond length is 1.97 Å. The Cu(2)-O(2) bond length is 1.97 Å. The Cu(2)-O(8) bond length is 2.07 Å. Both Cu(2)-O(5) bond lengths are 1.92 Å. In the third Cu site, Cu(3) is bonded to one O(2); one O(3); one O(7,9); and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. The Cu(3)-O(2) bond length is 1.96 Å. The Cu(3)-O(3) bond length is 1.97 Å. The Cu(3)-O(7,9) bond length is 2.11 Å. Both Cu(3)-O(6) bond lengths are 1.92 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(11); one O(12); and two equivalent O(7,9) atoms. The Cu(4)-O(11) bond length is 1.86 Å. The Cu(4)-O(12) bond length is 1.90 Å. Both Cu(4)-O(7,9) bond lengths are 1.88 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Y(2), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(3), two equivalent Y(2), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Y(1), one Y(2), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(1), one Y(2), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), two equivalent Y(2), and two equivalent Cu(3) atoms. In the seventh O site, O(7,9) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Cu(1), and one Cu(4) atom to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(12)Sr4Cu2 octahedra; corners with two equivalent O(11)Sr4FeCu octahedra; corners with two equivalent O(8)Sr4FeCu octahedra; corners with three equivalent O(7,9)Sr4Cu2 octahedra;  an edgeedge with one O(8)Sr4FeCu octahedra; edges with three equivalent O(7,9)Sr4Cu2 octahedra;  a faceface with one O(12)Sr4Cu2 octahedra; and  a faceface with one O(11)Sr4FeCu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the eighth O site, O(8) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Cu(2) atom to form OSr4FeCu octahedra that share  a cornercorner with one O(8)Sr4FeCu octahedra; corners with four equivalent O(7,9)Sr4Cu2 octahedra; corners with four equivalent O(11)Sr4FeCu octahedra; edges with two equivalent O(7,9)Sr4Cu2 octahedra; edges with two equivalent O(8)Sr4FeCu octahedra; and faces with two equivalent O(11)Sr4FeCu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the ninth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the tenth O site, O(11) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Cu(4) atom to form distorted OSr4FeCu octahedra that share  a cornercorner with one O(12)Sr4Cu2 octahedra;  a cornercorner with one O(11)Sr4FeCu octahedra; corners with four equivalent O(7,9)Sr4Cu2 octahedra; corners with four equivalent O(8)Sr4FeCu octahedra; edges with two equivalent O(11)Sr4FeCu octahedra; faces with two equivalent O(7,9)Sr4Cu2 octahedra; and faces with two equivalent O(8)Sr4FeCu octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eleventh O site, O(12) is bonded to four equivalent Sr(3) and two equivalent Cu(4) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(11)Sr4FeCu octahedra; corners with eight equivalent O(7,9)Sr4Cu2 octahedra; edges with two equivalent O(12)Sr4Cu2 octahedra; and faces with four equivalent O(7,9)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°.