Sr2Ca2Cu3BiO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Sr site, Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) 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. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Bi(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two Sr(1,1); two Ca(1,1); one Cu(2); and one Bi(1) atom to form distorted OSr2Ca2CuBi octahedra that share corners with four equivalent O(2)Sr2Ca2Cu2 octahedra, corners with four equivalent O(3)Sr2Ca2CuBi octahedra, corners with six equivalent O(1)Sr2Ca2CuBi octahedra, edges with four equivalent O(4)Sr2Ca2Cu2 octahedra, faces with two equivalent O(2)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(3)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-74°. In the second O site, O(2) is bonded to two Sr(1,1); two Ca(1,1); one Cu(1); and one Cu(2) atom to form OSr2Ca2Cu2 octahedra that share corners with four equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(1)Sr2Ca2CuBi octahedra, corners with six equivalent O(2)Sr2Ca2Cu2 octahedra, edges with four equivalent O(3)Sr2Ca2CuBi octahedra, faces with two equivalent O(4)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(1)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded to two Sr(1,1); two Ca(1,1); one Cu(3); and one Bi(1) atom to form distorted OSr2Ca2CuBi octahedra that share corners with four equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(1)Sr2Ca2CuBi octahedra, corners with six equivalent O(3)Sr2Ca2CuBi octahedra, edges with four equivalent O(2)Sr2Ca2Cu2 octahedra, faces with two equivalent O(4)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(1)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-74°. In the fourth O site, O(4) is bonded to two Sr(1,1); two Ca(1,1); one Cu(1); and one Cu(3) atom to form OSr2Ca2Cu2 octahedra that share corners with four equivalent O(2)Sr2Ca2Cu2 octahedra, corners with four equivalent O(3)Sr2Ca2CuBi octahedra, corners with six equivalent O(4)Sr2Ca2Cu2 octahedra, edges with four equivalent O(1)Sr2Ca2CuBi octahedra, faces with two equivalent O(2)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(3)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-66°.
Sr2Ca2Cu3BiO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Sr(1)-O(1) bond lengths are 2.68 Å. Both Sr(1)-O(2) bond lengths are 2.67 Å. Both Sr(1)-O(3) bond lengths are 2.69 Å. Both Sr(1)-O(4) bond lengths are 2.67 Å. In the second Sr site, Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Sr(1)-O(1) bond lengths are 2.69 Å. Both Sr(1)-O(2) bond lengths are 2.68 Å. Both Sr(1)-O(3) bond lengths are 2.68 Å. Both Sr(1)-O(4) bond lengths are 2.67 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ca(1)-O(1) bond lengths are 2.60 Å. Both Ca(1)-O(2) bond lengths are 2.60 Å. Both Ca(1)-O(3) bond lengths are 2.61 Å. Both Ca(1)-O(4) bond lengths are 2.60 Å. In the second Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ca(1)-O(1) bond lengths are 2.60 Å. Both Ca(1)-O(2) bond lengths are 2.60 Å. Both Ca(1)-O(3) bond lengths are 2.60 Å. Both Ca(1)-O(4) bond lengths are 2.60 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Cu(1)-O(2) bond lengths are 2.00 Å. Both Cu(1)-O(4) bond lengths are 2.02 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 1.88 Å. Both Cu(2)-O(2) bond lengths are 2.11 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Cu(3)-O(3) bond lengths are 1.88 Å. Both Cu(3)-O(4) bond lengths are 2.09 Å. Bi(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Bi(1)-O(1) bond lengths are 2.23 Å. Both Bi(1)-O(3) bond lengths are 2.23 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two Sr(1,1); two Ca(1,1); one Cu(2); and one Bi(1) atom to form distorted OSr2Ca2CuBi octahedra that share corners with four equivalent O(2)Sr2Ca2Cu2 octahedra, corners with four equivalent O(3)Sr2Ca2CuBi octahedra, corners with six equivalent O(1)Sr2Ca2CuBi octahedra, edges with four equivalent O(4)Sr2Ca2Cu2 octahedra, faces with two equivalent O(2)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(3)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-74°. In the second O site, O(2) is bonded to two Sr(1,1); two Ca(1,1); one Cu(1); and one Cu(2) atom to form OSr2Ca2Cu2 octahedra that share corners with four equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(1)Sr2Ca2CuBi octahedra, corners with six equivalent O(2)Sr2Ca2Cu2 octahedra, edges with four equivalent O(3)Sr2Ca2CuBi octahedra, faces with two equivalent O(4)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(1)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded to two Sr(1,1); two Ca(1,1); one Cu(3); and one Bi(1) atom to form distorted OSr2Ca2CuBi octahedra that share corners with four equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(1)Sr2Ca2CuBi octahedra, corners with six equivalent O(3)Sr2Ca2CuBi octahedra, edges with four equivalent O(2)Sr2Ca2Cu2 octahedra, faces with two equivalent O(4)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(1)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-74°. In the fourth O site, O(4) is bonded to two Sr(1,1); two Ca(1,1); one Cu(1); and one Cu(3) atom to form OSr2Ca2Cu2 octahedra that share corners with four equivalent O(2)Sr2Ca2Cu2 octahedra, corners with four equivalent O(3)Sr2Ca2CuBi octahedra, corners with six equivalent O(4)Sr2Ca2Cu2 octahedra, edges with four equivalent O(1)Sr2Ca2CuBi octahedra, faces with two equivalent O(2)Sr2Ca2Cu2 octahedra, and faces with two equivalent O(3)Sr2Ca2CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-66°.