SrCa3(RuO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. 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(4) atoms. There are three inequivalent Ca sites. In the first Ca site, 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(3) atoms. In the second Ca site, Ca(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 Ca site, Ca(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. There are two inequivalent Ru sites. In the first Ru site, Ru(1) 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 RuO6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. In the second Ru site, Ru(2) 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 RuO6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Ca(1), one Ca(3), one Ru(1), and one Ru(2) atom to form distorted OSrCa2Ru2 trigonal bipyramids that share  a cornercorner with one O(1)SrCa2Ru2 trigonal bipyramid, corners with two equivalent O(2)SrCa2Ru2 trigonal bipyramids,  an edgeedge with one O(7)Ca2Ru2 tetrahedra,  an edgeedge with one O(8)Ca2Ru2 tetrahedra,  an edgeedge with one O(1)SrCa2Ru2 trigonal bipyramid, and edges with two equivalent O(2)SrCa2Ru2 trigonal bipyramids. In the second O site, O(2) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ru(1), and one Ru(2) atom to form distorted OSrCa2Ru2 trigonal bipyramids that share  a cornercorner with one O(2)SrCa2Ru2 trigonal bipyramid, corners with two equivalent O(1)SrCa2Ru2 trigonal bipyramids,  an edgeedge with one O(7)Ca2Ru2 tetrahedra,  an edgeedge with one O(8)Ca2Ru2 tetrahedra,  an edgeedge with one O(2)SrCa2Ru2 trigonal bipyramid, and edges with two equivalent O(1)SrCa2Ru2 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ru(1), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(2), one Ca(3), one Ru(1), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Ru(2) 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 Ru(1) atoms. In the seventh O site, O(7) is bonded to one Ca(2), one Ca(3), and two equivalent Ru(2) atoms to form distorted OCa2Ru2 tetrahedra that share corners with two equivalent O(8)Ca2Ru2 tetrahedra, edges with two equivalent O(1)SrCa2Ru2 trigonal bipyramids, and edges with two equivalent O(2)SrCa2Ru2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Ca(2), one Ca(3), and two equivalent Ru(1) atoms to form distorted OCa2Ru2 tetrahedra that share corners with two equivalent O(7)Ca2Ru2 tetrahedra, edges with two equivalent O(1)SrCa2Ru2 trigonal bipyramids, and edges with two equivalent O(2)SrCa2Ru2 trigonal bipyramids.
SrCa3(RuO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. 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(4) atoms. The Sr(1)-O(5) bond length is 2.56 Å. The Sr(1)-O(6) bond length is 2.45 Å. Both Sr(1)-O(1) bond lengths are 2.69 Å. Both Sr(1)-O(2) bond lengths are 2.44 Å. Both Sr(1)-O(4) bond lengths are 2.76 Å. There are three inequivalent Ca sites. In the first Ca site, 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(3) atoms. The Ca(1)-O(5) bond length is 2.32 Å. The Ca(1)-O(6) bond length is 2.40 Å. Both Ca(1)-O(1) bond lengths are 2.35 Å. Both Ca(1)-O(2) bond lengths are 2.62 Å. Both Ca(1)-O(3) bond lengths are 2.75 Å. In the second Ca site, Ca(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 Ca(2)-O(7) bond length is 2.43 Å. The Ca(2)-O(8) bond length is 2.34 Å. Both Ca(2)-O(2) bond lengths are 2.69 Å. Both Ca(2)-O(3) bond lengths are 2.60 Å. Both Ca(2)-O(4) bond lengths are 2.36 Å. In the third Ca site, Ca(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 Ca(3)-O(7) bond length is 2.33 Å. The Ca(3)-O(8) bond length is 2.43 Å. Both Ca(3)-O(1) bond lengths are 2.69 Å. Both Ca(3)-O(3) bond lengths are 2.36 Å. Both Ca(3)-O(4) bond lengths are 2.62 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) 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 RuO6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. The Ru(1)-O(1) bond length is 2.03 Å. The Ru(1)-O(2) bond length is 2.01 Å. The Ru(1)-O(3) bond length is 2.03 Å. The Ru(1)-O(4) bond length is 2.04 Å. The Ru(1)-O(6) bond length is 2.01 Å. The Ru(1)-O(8) bond length is 2.00 Å. In the second Ru site, Ru(2) 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 RuO6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. The Ru(2)-O(1) bond length is 2.04 Å. The Ru(2)-O(2) bond length is 2.00 Å. The Ru(2)-O(3) bond length is 2.03 Å. The Ru(2)-O(4) bond length is 2.02 Å. The Ru(2)-O(5) bond length is 2.03 Å. The Ru(2)-O(7) bond length is 2.00 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Ca(1), one Ca(3), one Ru(1), and one Ru(2) atom to form distorted OSrCa2Ru2 trigonal bipyramids that share  a cornercorner with one O(1)SrCa2Ru2 trigonal bipyramid, corners with two equivalent O(2)SrCa2Ru2 trigonal bipyramids,  an edgeedge with one O(7)Ca2Ru2 tetrahedra,  an edgeedge with one O(8)Ca2Ru2 tetrahedra,  an edgeedge with one O(1)SrCa2Ru2 trigonal bipyramid, and edges with two equivalent O(2)SrCa2Ru2 trigonal bipyramids. In the second O site, O(2) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ru(1), and one Ru(2) atom to form distorted OSrCa2Ru2 trigonal bipyramids that share  a cornercorner with one O(2)SrCa2Ru2 trigonal bipyramid, corners with two equivalent O(1)SrCa2Ru2 trigonal bipyramids,  an edgeedge with one O(7)Ca2Ru2 tetrahedra,  an edgeedge with one O(8)Ca2Ru2 tetrahedra,  an edgeedge with one O(2)SrCa2Ru2 trigonal bipyramid, and edges with two equivalent O(1)SrCa2Ru2 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ru(1), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(2), one Ca(3), one Ru(1), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Ru(2) 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 Ru(1) atoms. In the seventh O site, O(7) is bonded to one Ca(2), one Ca(3), and two equivalent Ru(2) atoms to form distorted OCa2Ru2 tetrahedra that share corners with two equivalent O(8)Ca2Ru2 tetrahedra, edges with two equivalent O(1)SrCa2Ru2 trigonal bipyramids, and edges with two equivalent O(2)SrCa2Ru2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Ca(2), one Ca(3), and two equivalent Ru(1) atoms to form distorted OCa2Ru2 tetrahedra that share corners with two equivalent O(7)Ca2Ru2 tetrahedra, edges with two equivalent O(1)SrCa2Ru2 trigonal bipyramids, and edges with two equivalent O(2)SrCa2Ru2 trigonal bipyramids.