SrCaYRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Sr(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. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Y(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 YO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. Ru(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 RuO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Y(1), and one Ru(1) atom to form distorted corner-sharing OSrCaYRu tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Y(1), and one Ru(1) atom to form distorted corner-sharing OSrCaYRu tetrahedra.
SrCaYRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Sr(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 Sr(1)-O(1) bond length is 2.51 Å. The Sr(1)-O(4) bond length is 2.51 Å. The Sr(1)-O(5) bond length is 2.61 Å. The Sr(1)-O(6) bond length is 2.50 Å. There is one shorter (2.79 Å) and one longer (2.88 Å) Sr(1)-O(2) bond length. There is one shorter (2.79 Å) and one longer (2.89 Å) Sr(1)-O(3) bond length. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Ca(1)-O(2) bond length is 2.45 Å. The Ca(1)-O(3) bond length is 2.41 Å. The Ca(1)-O(5) bond length is 2.38 Å. The Ca(1)-O(6) bond length is 2.46 Å. There is one shorter (2.64 Å) and one longer (2.93 Å) Ca(1)-O(1) bond length. There is one shorter (2.73 Å) and one longer (2.84 Å) Ca(1)-O(4) bond length. Y(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 YO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. The Y(1)-O(1) bond length is 2.25 Å. The Y(1)-O(2) bond length is 2.27 Å. The Y(1)-O(3) bond length is 2.25 Å. The Y(1)-O(4) bond length is 2.24 Å. The Y(1)-O(5) bond length is 2.25 Å. The Y(1)-O(6) bond length is 2.25 Å. Ru(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 RuO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. The Ru(1)-O(1) bond length is 1.98 Å. The Ru(1)-O(2) bond length is 2.01 Å. The Ru(1)-O(3) bond length is 1.99 Å. The Ru(1)-O(4) bond length is 1.98 Å. The Ru(1)-O(5) bond length is 2.00 Å. The Ru(1)-O(6) bond length is 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Y(1), and one Ru(1) atom to form distorted corner-sharing OSrCaYRu tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Y(1), and one Ru(1) atom to form distorted corner-sharing OSrCaYRu tetrahedra.