Sr5CaCu4(BiO2)4 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 4-coordinate geometry to one Bi(2), two equivalent Bi(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one Bi(1), two equivalent Bi(2), two equivalent O(1), and two equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Bi(1), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(2), one Bi(2), and two equivalent Bi(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Cu(1), and one Cu(2) atom to form a mixture of face, corner, and edge-sharing OSr3CaCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Cu(1), and one Cu(2) atom to form a mixture of face, corner, and edge-sharing OSr3CaCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°.
Sr5CaCu4(BiO2)4 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 4-coordinate geometry to one Bi(2), two equivalent Bi(1), two equivalent O(1), and two equivalent O(2) atoms. The Sr(1)-Bi(2) bond length is 3.61 Å. Both Sr(1)-Bi(1) bond lengths are 3.96 Å. Both Sr(1)-O(1) bond lengths are 2.47 Å. Both Sr(1)-O(2) bond lengths are 2.50 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one Bi(1), two equivalent Bi(2), two equivalent O(1), and two equivalent O(2) atoms. The Sr(2)-Bi(1) bond length is 3.57 Å. Both Sr(2)-Bi(2) bond lengths are 3.97 Å. Both Sr(2)-O(1) bond lengths are 2.50 Å. Both Sr(2)-O(2) bond lengths are 2.53 Å. In the third Sr site, Sr(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(3)-O(1) bond lengths are 2.67 Å. All Sr(3)-O(2) bond lengths are 2.63 Å. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ca(1)-O(1) bond lengths are 2.64 Å. All Ca(1)-O(2) bond lengths are 2.58 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 2.01 Å. Both Cu(1)-O(2) bond lengths are 2.01 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(2)-O(1) bond lengths are 2.00 Å. Both Cu(2)-O(2) bond lengths are 2.01 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Bi(1), and two equivalent Bi(2) atoms. The Bi(1)-Bi(1) bond length is 3.15 Å. Both Bi(1)-Bi(2) bond lengths are 3.36 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(2), one Bi(2), and two equivalent Bi(1) atoms. The Bi(2)-Bi(2) bond length is 3.11 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Cu(1), and one Cu(2) atom to form a mixture of face, corner, and edge-sharing OSr3CaCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Cu(1), and one Cu(2) atom to form a mixture of face, corner, and edge-sharing OSr3CaCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°.