LiSr4Y2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(9) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(2), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form YO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. In the second Y site, Y(2) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form distorted YO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-37°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Y(1)O6 octahedra and corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-37°. In the second Ru site, Ru(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Y(2)O6 octahedra and corners with four equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), two equivalent Sr(4), one Y(2), and one Ru(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), one Sr(4), one Y(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a distorted square pyramidal geometry to one Sr(1), one Sr(2), one Sr(3), one Y(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Sr(4), one Y(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(2), and one Ru(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Y(1), and one Ru(2) atom.
LiSr4Y2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(9) atom. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(2) bond length is 1.92 Å. The Li(1)-O(6) bond length is 1.89 Å. The Li(1)-O(9) bond length is 2.12 Å. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The Sr(1)-O(10) bond length is 2.88 Å. The Sr(1)-O(11) bond length is 2.79 Å. The Sr(1)-O(12) bond length is 2.52 Å. The Sr(1)-O(3) bond length is 2.52 Å. The Sr(1)-O(4) bond length is 2.65 Å. The Sr(1)-O(5) bond length is 2.69 Å. The Sr(1)-O(6) bond length is 2.64 Å. The Sr(1)-O(8) bond length is 2.99 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. The Sr(2)-O(11) bond length is 2.54 Å. The Sr(2)-O(12) bond length is 2.73 Å. The Sr(2)-O(3) bond length is 2.63 Å. The Sr(2)-O(4) bond length is 2.53 Å. The Sr(2)-O(5) bond length is 2.67 Å. The Sr(2)-O(6) bond length is 2.79 Å. The Sr(2)-O(7) bond length is 2.87 Å. The Sr(2)-O(9) bond length is 2.84 Å. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. The Sr(3)-O(1) bond length is 2.54 Å. The Sr(3)-O(10) bond length is 2.47 Å. The Sr(3)-O(2) bond length is 2.70 Å. The Sr(3)-O(5) bond length is 2.63 Å. The Sr(3)-O(7) bond length is 2.55 Å. The Sr(3)-O(8) bond length is 2.64 Å. The Sr(3)-O(9) bond length is 2.78 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(2), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. The Sr(4)-O(10) bond length is 2.47 Å. The Sr(4)-O(12) bond length is 3.15 Å. The Sr(4)-O(2) bond length is 2.60 Å. The Sr(4)-O(6) bond length is 2.85 Å. The Sr(4)-O(7) bond length is 2.69 Å. The Sr(4)-O(8) bond length is 2.59 Å. The Sr(4)-O(9) bond length is 2.70 Å. There is one shorter (2.68 Å) and one longer (3.10 Å) Sr(4)-O(1) bond length. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form YO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. The Y(1)-O(10) bond length is 2.28 Å. The Y(1)-O(12) bond length is 2.21 Å. The Y(1)-O(2) bond length is 2.29 Å. The Y(1)-O(4) bond length is 2.26 Å. The Y(1)-O(5) bond length is 2.28 Å. The Y(1)-O(7) bond length is 2.28 Å. In the second Y site, Y(2) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form distorted YO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-37°. The Y(2)-O(1) bond length is 2.33 Å. The Y(2)-O(11) bond length is 2.19 Å. The Y(2)-O(3) bond length is 2.16 Å. The Y(2)-O(6) bond length is 2.32 Å. The Y(2)-O(8) bond length is 2.20 Å. The Y(2)-O(9) bond length is 2.46 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Y(1)O6 octahedra and corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-37°. The Ru(1)-O(11) bond length is 2.02 Å. The Ru(1)-O(2) bond length is 2.07 Å. The Ru(1)-O(4) bond length is 1.98 Å. The Ru(1)-O(6) bond length is 2.06 Å. The Ru(1)-O(8) bond length is 2.00 Å. The Ru(1)-O(9) bond length is 2.06 Å. In the second Ru site, Ru(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Y(2)O6 octahedra and corners with four equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. The Ru(2)-O(1) bond length is 2.07 Å. The Ru(2)-O(10) bond length is 2.04 Å. The Ru(2)-O(12) bond length is 1.97 Å. The Ru(2)-O(3) bond length is 1.99 Å. The Ru(2)-O(5) bond length is 2.04 Å. The Ru(2)-O(7) bond length is 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), two equivalent Sr(4), one Y(2), and one Ru(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), one Sr(4), one Y(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a distorted square pyramidal geometry to one Sr(1), one Sr(2), one Sr(3), one Y(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Sr(4), one Y(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(2), and one Ru(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Y(1), and one Ru(2) atom.