CaLaCrCuO6 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(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Cr(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 CrO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. Cu(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 CuO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one La(1), one Cr(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Cr(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Cr(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Cr(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Cr(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one La(1), one Cr(1), and one Cu(1) atom.
CaLaCrCuO6 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(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.43 Å. The Ca(1)-O(4) bond length is 2.39 Å. The Ca(1)-O(5) bond length is 2.38 Å. The Ca(1)-O(6) bond length is 2.36 Å. There is one shorter (2.57 Å) and one longer (2.70 Å) Ca(1)-O(2) bond length. There is one shorter (2.57 Å) and one longer (2.70 Å) Ca(1)-O(3) bond length. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The La(1)-O(1) bond length is 2.40 Å. The La(1)-O(2) bond length is 2.40 Å. The La(1)-O(3) bond length is 2.42 Å. The La(1)-O(6) bond length is 2.52 Å. There is one shorter (2.65 Å) and one longer (2.70 Å) La(1)-O(4) bond length. There is one shorter (2.62 Å) and one longer (2.74 Å) La(1)-O(5) bond length. Cr(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 CrO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. The Cr(1)-O(1) bond length is 1.92 Å. The Cr(1)-O(2) bond length is 1.98 Å. The Cr(1)-O(3) bond length is 1.94 Å. The Cr(1)-O(4) bond length is 1.94 Å. The Cr(1)-O(5) bond length is 1.99 Å. The Cr(1)-O(6) bond length is 1.93 Å. Cu(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 CuO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. The Cu(1)-O(1) bond length is 2.02 Å. The Cu(1)-O(2) bond length is 2.02 Å. The Cu(1)-O(3) bond length is 2.04 Å. The Cu(1)-O(4) bond length is 2.07 Å. The Cu(1)-O(5) bond length is 2.02 Å. The Cu(1)-O(6) bond length is 2.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one La(1), one Cr(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Cr(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Cr(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Cr(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Cr(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one La(1), one Cr(1), and one Cu(1) atom.