Sr3Y2FeCu3BiO12 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(7), three equivalent O(8), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one Cu(1), one Cu(2), one O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Y site, Y(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted YO6 octahedra that share corners with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Fe(1) is bonded to one O(2), two equivalent O(5), and two equivalent O(7) atoms to form FeO5 square pyramids that share corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Sr(3), one O(4), and four equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one Sr(3), two equivalent O(5), and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded to one O(1), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with three equivalent Y(2)O6 octahedra and corners with two equivalent Fe(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 12-13°. Bi(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(3), one Cu(3), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Y(1), and one Fe(1) atom. In the third O site, O(3) is bonded to one Sr(3), two equivalent Sr(1), one Y(2), and one Cu(3) atom to form a mixture of distorted corner, edge, and face-sharing OSr3YCu square pyramids. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(3), one Y(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Sr(2), one Y(1), one Fe(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(3), one Y(1), one Y(2), one Cu(2), and two equivalent Cu(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Fe(1), one Cu(3), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Y(2), and one Cu(3) atom.
Sr3Y2FeCu3BiO12 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(7), three equivalent O(8), and four equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.57 Å. Both Sr(1)-O(7) bond lengths are 3.09 Å. There is one shorter (2.82 Å) and two longer (2.95 Å) Sr(1)-O(8) bond lengths. There are two shorter (2.68 Å) and two longer (2.71 Å) Sr(1)-O(3) bond lengths. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms. The Sr(2)-O(8) bond length is 2.38 Å. Both Sr(2)-O(2) bond lengths are 3.03 Å. Both Sr(2)-O(5) bond lengths are 2.56 Å. Both Sr(2)-O(7) bond lengths are 2.50 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one Cu(1), one Cu(2), one O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. The Sr(3)-Cu(1) bond length is 3.13 Å. The Sr(3)-Cu(2) bond length is 3.23 Å. The Sr(3)-O(1) bond length is 2.31 Å. Both Sr(3)-O(3) bond lengths are 2.57 Å. Both Sr(3)-O(4) bond lengths are 2.92 Å. Both Sr(3)-O(6) bond lengths are 3.04 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. The Y(1)-O(2) bond length is 2.13 Å. Both Y(1)-O(5) bond lengths are 2.20 Å. Both Y(1)-O(6) bond lengths are 2.24 Å. In the second Y site, Y(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted YO6 octahedra that share corners with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. The Y(2)-O(4) bond length is 2.26 Å. The Y(2)-O(8) bond length is 2.23 Å. Both Y(2)-O(3) bond lengths are 2.17 Å. Both Y(2)-O(6) bond lengths are 2.43 Å. Fe(1) is bonded to one O(2), two equivalent O(5), and two equivalent O(7) atoms to form FeO5 square pyramids that share corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. The Fe(1)-O(2) bond length is 1.91 Å. Both Fe(1)-O(5) bond lengths are 2.00 Å. Both Fe(1)-O(7) bond lengths are 2.01 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Sr(3), one O(4), and four equivalent O(6) atoms. The Cu(1)-O(4) bond length is 1.91 Å. There are two shorter (2.22 Å) and two longer (2.30 Å) Cu(1)-O(6) bond lengths. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one Sr(3), two equivalent O(5), and two equivalent O(6) atoms. Both Cu(2)-O(5) bond lengths are 1.97 Å. Both Cu(2)-O(6) bond lengths are 2.02 Å. In the third Cu site, Cu(3) is bonded to one O(1), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with three equivalent Y(2)O6 octahedra and corners with two equivalent Fe(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 12-13°. The Cu(3)-O(1) bond length is 2.25 Å. The Cu(3)-O(8) bond length is 2.15 Å. Both Cu(3)-O(3) bond lengths are 1.97 Å. Both Cu(3)-O(7) bond lengths are 2.12 Å. Bi(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(7) atoms. The Bi(1)-O(1) bond length is 2.15 Å. Both Bi(1)-O(7) bond lengths are 2.24 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(3), one Cu(3), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Y(1), and one Fe(1) atom. In the third O site, O(3) is bonded to one Sr(3), two equivalent Sr(1), one Y(2), and one Cu(3) atom to form a mixture of distorted corner, edge, and face-sharing OSr3YCu square pyramids. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(3), one Y(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Sr(2), one Y(1), one Fe(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(3), one Y(1), one Y(2), one Cu(2), and two equivalent Cu(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Fe(1), one Cu(3), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Y(2), and one Cu(3) atom.