CaLaFeSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one La(1), one Fe(1), and one Sn(1) atom to form distorted corner-sharing OCaLaFeSn tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one La(1), one Fe(1), and one Sn(1) atom to form distorted corner-sharing OCaLaFeSn tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Fe(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Fe(1), and one Sn(1) atom.
CaLaFeSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ca(1)-O(1) bond length is 2.37 Å. The Ca(1)-O(2) bond length is 2.40 Å. The Ca(1)-O(3) bond length is 2.40 Å. The Ca(1)-O(4) bond length is 2.46 Å. There is one shorter (2.63 Å) and one longer (2.83 Å) Ca(1)-O(5) bond length. There is one shorter (2.63 Å) and one longer (2.85 Å) Ca(1)-O(6) bond length. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The La(1)-O(1) bond length is 2.52 Å. The La(1)-O(4) bond length is 2.39 Å. The La(1)-O(5) bond length is 2.42 Å. The La(1)-O(6) bond length is 2.41 Å. There is one shorter (2.67 Å) and one longer (2.83 Å) La(1)-O(2) bond length. There is one shorter (2.68 Å) and one longer (2.84 Å) La(1)-O(3) bond length. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. The Fe(1)-O(1) bond length is 2.05 Å. The Fe(1)-O(2) bond length is 2.07 Å. The Fe(1)-O(3) bond length is 2.05 Å. The Fe(1)-O(4) bond length is 2.05 Å. The Fe(1)-O(5) bond length is 2.04 Å. The Fe(1)-O(6) bond length is 2.05 Å. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. The Sn(1)-O(1) bond length is 2.09 Å. The Sn(1)-O(2) bond length is 2.09 Å. The Sn(1)-O(3) bond length is 2.10 Å. The Sn(1)-O(4) bond length is 2.09 Å. The Sn(1)-O(5) bond length is 2.09 Å. The Sn(1)-O(6) bond length is 2.08 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one La(1), one Fe(1), and one Sn(1) atom to form distorted corner-sharing OCaLaFeSn tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one La(1), one Fe(1), and one Sn(1) atom to form distorted corner-sharing OCaLaFeSn tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Fe(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Fe(1), and one Sn(1) atom.