Sr3Ca3(Ru2O7)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(7), one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(13), one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(2), and one O(4) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(4), and one O(7) atom. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(2), one O(3), one O(4), and one O(8) atom. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(12), one O(13), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. In the second Ru site, Ru(2) is bonded to one O(10), one O(11), one O(14), 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 17-28°. In the third Ru site, Ru(3) is bonded to one O(1), one O(10), one O(11), one O(14), one O(6), and one O(7) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 17-28°. In the fourth Ru site, Ru(4) is bonded to one O(12), one O(13), one O(2), one O(6), one O(8), and one O(9) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(3), one Ca(1), one Ca(2), and one Ru(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(3), one Ca(1), one Ca(3), and one Ru(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(3), one Ca(2), one Ca(3), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ru(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ru(3), and one Ru(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(2), one Ru(2), and one Ru(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Ru(1), and one Ru(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ru(1), and one Ru(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Ru(2), and one Ru(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ru(2), and one Ru(3) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Ru(1), and one Ru(4) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Ca(3), one Ru(1), and one Ru(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Sr(2), one Ca(1), one Ca(2), one Ru(2), and one Ru(3) atom.
Sr3Ca3(Ru2O7)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms. The Sr(1)-O(10) bond length is 2.48 Å. The Sr(1)-O(11) bond length is 2.74 Å. The Sr(1)-O(12) bond length is 2.71 Å. The Sr(1)-O(7) bond length is 2.81 Å. The Sr(1)-O(8) bond length is 2.79 Å. The Sr(1)-O(9) bond length is 2.52 Å. There is one shorter (2.64 Å) and one longer (2.98 Å) Sr(1)-O(5) bond length. There is one shorter (2.54 Å) and one longer (3.08 Å) Sr(1)-O(6) bond length. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(7), one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms. The Sr(2)-O(10) bond length is 2.86 Å. The Sr(2)-O(12) bond length is 3.18 Å. The Sr(2)-O(13) bond length is 2.78 Å. The Sr(2)-O(14) bond length is 2.82 Å. The Sr(2)-O(7) bond length is 2.47 Å. The Sr(2)-O(8) bond length is 2.50 Å. The Sr(2)-O(9) bond length is 2.78 Å. There is one shorter (2.51 Å) and one longer (3.09 Å) Sr(2)-O(5) bond length. There is one shorter (2.59 Å) and one longer (3.03 Å) Sr(2)-O(6) bond length. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(13), one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms. The Sr(3)-O(1) bond length is 2.38 Å. The Sr(3)-O(12) bond length is 2.44 Å. The Sr(3)-O(13) bond length is 2.71 Å. The Sr(3)-O(8) bond length is 3.06 Å. The Sr(3)-O(9) bond length is 2.56 Å. There is one shorter (2.57 Å) and one longer (3.06 Å) Sr(3)-O(2) bond length. There is one shorter (2.72 Å) and one longer (2.90 Å) Sr(3)-O(3) bond length. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(2), and one O(4) atom. The Ca(1)-O(1) bond length is 2.37 Å. The Ca(1)-O(10) bond length is 2.43 Å. The Ca(1)-O(11) bond length is 2.35 Å. The Ca(1)-O(14) bond length is 2.68 Å. The Ca(1)-O(2) bond length is 2.30 Å. The Ca(1)-O(4) bond length is 2.49 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(4), and one O(7) atom. The Ca(2)-O(1) bond length is 2.47 Å. The Ca(2)-O(11) bond length is 2.73 Å. The Ca(2)-O(14) bond length is 2.34 Å. The Ca(2)-O(3) bond length is 2.32 Å. The Ca(2)-O(4) bond length is 2.38 Å. The Ca(2)-O(7) bond length is 2.43 Å. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(2), one O(3), one O(4), and one O(8) atom. The Ca(3)-O(12) bond length is 2.74 Å. The Ca(3)-O(13) bond length is 2.36 Å. The Ca(3)-O(2) bond length is 2.47 Å. The Ca(3)-O(3) bond length is 2.39 Å. The Ca(3)-O(4) bond length is 2.31 Å. The Ca(3)-O(8) bond length is 2.48 Å. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(12), one O(13), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. The Ru(1)-O(12) bond length is 2.00 Å. The Ru(1)-O(13) bond length is 2.02 Å. The Ru(1)-O(3) bond length is 2.04 Å. The Ru(1)-O(5) bond length is 2.05 Å. The Ru(1)-O(8) bond length is 2.02 Å. The Ru(1)-O(9) bond length is 2.01 Å. In the second Ru site, Ru(2) is bonded to one O(10), one O(11), one O(14), 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 17-28°. The Ru(2)-O(10) bond length is 2.02 Å. The Ru(2)-O(11) bond length is 2.02 Å. The Ru(2)-O(14) bond length is 2.02 Å. The Ru(2)-O(4) bond length is 2.03 Å. The Ru(2)-O(5) bond length is 2.03 Å. The Ru(2)-O(7) bond length is 2.04 Å. In the third Ru site, Ru(3) is bonded to one O(1), one O(10), one O(11), one O(14), one O(6), and one O(7) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 17-28°. The Ru(3)-O(1) bond length is 1.98 Å. The Ru(3)-O(10) bond length is 2.02 Å. The Ru(3)-O(11) bond length is 2.04 Å. The Ru(3)-O(14) bond length is 2.03 Å. The Ru(3)-O(6) bond length is 2.03 Å. The Ru(3)-O(7) bond length is 2.04 Å. In the fourth Ru site, Ru(4) is bonded to one O(12), one O(13), one O(2), one O(6), one O(8), and one O(9) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. The Ru(4)-O(12) bond length is 1.99 Å. The Ru(4)-O(13) bond length is 2.02 Å. The Ru(4)-O(2) bond length is 2.03 Å. The Ru(4)-O(6) bond length is 2.04 Å. The Ru(4)-O(8) bond length is 2.02 Å. The Ru(4)-O(9) bond length is 2.02 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(3), one Ca(1), one Ca(2), and one Ru(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(3), one Ca(1), one Ca(3), and one Ru(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(3), one Ca(2), one Ca(3), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ru(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ru(3), and one Ru(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(2), one Ru(2), and one Ru(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Ru(1), and one Ru(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ru(1), and one Ru(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Ru(2), and one Ru(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ru(2), and one Ru(3) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Ru(1), and one Ru(4) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Ca(3), one Ru(1), and one Ru(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Sr(2), one Ca(1), one Ca(2), one Ru(2), and one Ru(3) atom.