LiSr4Tb2(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 Sr(1), one O(2), one O(4), one O(8), and one O(9) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one Li(1), one O(1), one O(10), one O(2), one O(5), one O(6), one O(7), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form TbO6 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 22-28°. In the second Tb site, Tb(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form TbO6 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 21-37°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) 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 Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Ru site, Ru(2) 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 distorted RuO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Tb(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Sr(4), one Tb(2), and one Ru(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), one Sr(4), one Tb(2), and one Ru(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Sr(4), one Tb(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr3TbRu trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(3), one Tb(2), and one Ru(2) atom to form distorted corner-sharing OSr3TbRu trigonal bipyramids. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr3TbRu trigonal bipyramids. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Li(1), one Sr(2), one Sr(3), one Sr(4), one Tb(2), and one Ru(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Sr(2), two equivalent Sr(1), one Tb(1), and one Ru(2) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Tb(2), and one Ru(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(1), and one Ru(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(2), and one Ru(1) atom.
LiSr4Tb2(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 Sr(1), one O(2), one O(4), one O(8), and one O(9) atom. The Li(1)-Sr(1) bond length is 2.50 Å. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(4) bond length is 1.90 Å. The Li(1)-O(8) bond length is 1.85 Å. The Li(1)-O(9) bond length is 2.05 Å. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one Li(1), one O(1), one O(10), one O(2), one O(5), one O(6), one O(7), and two equivalent O(9) atoms. The Sr(1)-O(1) bond length is 2.46 Å. The Sr(1)-O(10) bond length is 2.58 Å. The Sr(1)-O(2) bond length is 2.63 Å. The Sr(1)-O(5) bond length is 2.47 Å. The Sr(1)-O(6) bond length is 2.72 Å. The Sr(1)-O(7) bond length is 2.66 Å. There is one shorter (2.92 Å) and one longer (3.14 Å) Sr(1)-O(9) bond length. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. The Sr(2)-O(1) bond length is 2.56 Å. The Sr(2)-O(10) bond length is 2.68 Å. The Sr(2)-O(2) bond length is 3.01 Å. The Sr(2)-O(5) bond length is 2.73 Å. The Sr(2)-O(6) bond length is 2.59 Å. The Sr(2)-O(8) bond length is 2.73 Å. The Sr(2)-O(9) bond length is 2.61 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. The Sr(3)-O(1) bond length is 2.90 Å. The Sr(3)-O(11) bond length is 2.68 Å. The Sr(3)-O(12) bond length is 2.58 Å. The Sr(3)-O(3) bond length is 2.58 Å. The Sr(3)-O(4) bond length is 2.81 Å. The Sr(3)-O(6) bond length is 2.96 Å. The Sr(3)-O(7) bond length is 2.75 Å. The Sr(3)-O(8) bond length is 2.55 Å. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Sr(4)-O(11) bond length is 2.51 Å. The Sr(4)-O(12) bond length is 2.64 Å. The Sr(4)-O(2) bond length is 2.89 Å. The Sr(4)-O(3) bond length is 2.66 Å. The Sr(4)-O(4) bond length is 2.61 Å. The Sr(4)-O(5) bond length is 2.78 Å. The Sr(4)-O(7) bond length is 2.55 Å. The Sr(4)-O(8) bond length is 2.97 Å. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form TbO6 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 22-28°. The Tb(1)-O(1) bond length is 2.27 Å. The Tb(1)-O(11) bond length is 2.29 Å. The Tb(1)-O(3) bond length is 2.21 Å. The Tb(1)-O(5) bond length is 2.26 Å. The Tb(1)-O(7) bond length is 2.24 Å. The Tb(1)-O(9) bond length is 2.30 Å. In the second Tb site, Tb(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form TbO6 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 21-37°. The Tb(2)-O(10) bond length is 2.31 Å. The Tb(2)-O(12) bond length is 2.24 Å. The Tb(2)-O(2) bond length is 2.35 Å. The Tb(2)-O(4) bond length is 2.25 Å. The Tb(2)-O(6) bond length is 2.22 Å. The Tb(2)-O(8) bond length is 2.32 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) 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 Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. The Ru(1)-O(1) bond length is 2.04 Å. The Ru(1)-O(10) bond length is 2.00 Å. The Ru(1)-O(12) bond length is 1.99 Å. The Ru(1)-O(3) bond length is 1.99 Å. The Ru(1)-O(5) bond length is 2.01 Å. The Ru(1)-O(7) bond length is 2.03 Å. In the second Ru site, Ru(2) 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 distorted RuO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. The Ru(2)-O(11) bond length is 1.95 Å. The Ru(2)-O(2) bond length is 2.05 Å. The Ru(2)-O(4) bond length is 2.06 Å. The Ru(2)-O(6) bond length is 1.98 Å. The Ru(2)-O(8) bond length is 2.12 Å. The Ru(2)-O(9) bond length is 2.07 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Tb(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Sr(4), one Tb(2), and one Ru(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), one Sr(4), one Tb(2), and one Ru(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Sr(4), one Tb(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr3TbRu trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(3), one Tb(2), and one Ru(2) atom to form distorted corner-sharing OSr3TbRu trigonal bipyramids. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr3TbRu trigonal bipyramids. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Li(1), one Sr(2), one Sr(3), one Sr(4), one Tb(2), and one Ru(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Sr(2), two equivalent Sr(1), one Tb(1), and one Ru(2) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Tb(2), and one Ru(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(1), and one Ru(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(2), and one Ru(1) atom.