BaSrSm(CuO2)3 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. Sm(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), 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 Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sm(1), and two equivalent Cu(2) atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°.
BaSrSm(CuO2)3 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. All Ba(1)-O(1) bond lengths are 2.79 Å. All Ba(1)-O(3) bond lengths are 2.95 Å. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. All Sr(1)-O(2) bond lengths are 2.79 Å. All Sr(1)-O(4) bond lengths are 2.80 Å. Sm(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. All Sm(1)-O(3) bond lengths are 2.44 Å. All Sm(1)-O(4) bond lengths are 2.48 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 2.51 Å. All Cu(1)-O(3) bond lengths are 1.95 Å. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(2) bond length is 2.36 Å. All Cu(2)-O(4) bond lengths are 1.95 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(1) and one O(2) atom. The Cu(3)-O(1) bond length is 1.83 Å. The Cu(3)-O(2) bond length is 1.80 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), 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 Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sm(1), and two equivalent Cu(2) atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°.