Sr3Ca(SnO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Ca(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Sr(1), one Ca(1), and two equivalent Sn(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Sn(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(2) atoms.
Sr3Ca(SnO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Sr(1)-O(5) bond length is 2.50 Å. The Sr(1)-O(6) bond length is 2.67 Å. Both Sr(1)-O(1) bond lengths are 2.52 Å. Both Sr(1)-O(2) bond lengths are 2.78 Å. Both Sr(1)-O(3) bond lengths are 2.85 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Sr(2)-O(7) bond length is 2.64 Å. The Sr(2)-O(8) bond length is 2.50 Å. Both Sr(2)-O(2) bond lengths are 2.92 Å. Both Sr(2)-O(3) bond lengths are 2.81 Å. Both Sr(2)-O(4) bond lengths are 2.51 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Sr(3)-O(7) bond length is 2.50 Å. The Sr(3)-O(8) bond length is 2.64 Å. Both Sr(3)-O(1) bond lengths are 2.91 Å. Both Sr(3)-O(3) bond lengths are 2.51 Å. Both Sr(3)-O(4) bond lengths are 2.74 Å. Ca(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Ca(1)-O(5) bond length is 2.46 Å. The Ca(1)-O(6) bond length is 2.40 Å. Both Ca(1)-O(1) bond lengths are 2.68 Å. Both Ca(1)-O(2) bond lengths are 2.46 Å. Both Ca(1)-O(4) bond lengths are 2.87 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. The Sn(1)-O(1) bond length is 2.10 Å. The Sn(1)-O(2) bond length is 2.11 Å. The Sn(1)-O(3) bond length is 2.09 Å. The Sn(1)-O(4) bond length is 2.10 Å. The Sn(1)-O(5) bond length is 2.08 Å. The Sn(1)-O(7) bond length is 2.11 Å. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-32°. The Sn(2)-O(1) bond length is 2.09 Å. The Sn(2)-O(2) bond length is 2.11 Å. The Sn(2)-O(3) bond length is 2.09 Å. The Sn(2)-O(4) bond length is 2.10 Å. The Sn(2)-O(6) bond length is 2.09 Å. The Sn(2)-O(8) bond length is 2.11 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Sr(1), one Ca(1), and two equivalent Sn(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Sn(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(2) atoms.