LiSr2Pr2Fe2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Fe(1), one O(1), one O(6), and one O(7) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Li(1), one O(1), one O(10), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-26°. In the second Ru site, Ru(2) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 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 17-30°. 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(1), one Pr(1), one Ru(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Pr(2), one Ru(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Pr(2), one Ru(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sr(2), one Pr(2), one Ru(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Sr(2), one Pr(1), one Ru(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Ru(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Ru(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(2), one Pr(2), one Ru(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal bipyramidal geometry to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom.
LiSr2Pr2Fe2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Fe(1), one O(1), one O(6), and one O(7) atom. The Li(1)-Sr(1) bond length is 2.37 Å. The Li(1)-Fe(1) bond length is 2.18 Å. The Li(1)-O(1) bond length is 1.87 Å. The Li(1)-O(6) bond length is 1.81 Å. The Li(1)-O(7) bond length is 1.88 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Li(1), one O(1), one O(10), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. The Sr(1)-O(1) bond length is 2.69 Å. The Sr(1)-O(10) bond length is 2.52 Å. The Sr(1)-O(12) bond length is 2.70 Å. The Sr(1)-O(2) bond length is 2.46 Å. The Sr(1)-O(5) bond length is 2.58 Å. The Sr(1)-O(8) bond length is 2.35 Å. The Sr(1)-O(9) bond length is 2.63 Å. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(3), and two equivalent O(4) atoms. The Sr(2)-O(11) bond length is 2.55 Å. The Sr(2)-O(12) bond length is 2.63 Å. The Sr(2)-O(5) bond length is 2.62 Å. The Sr(2)-O(6) bond length is 2.65 Å. The Sr(2)-O(7) bond length is 2.99 Å. The Sr(2)-O(8) bond length is 3.08 Å. The Sr(2)-O(9) bond length is 2.92 Å. There is one shorter (2.48 Å) and one longer (3.18 Å) Sr(2)-O(3) bond length. There is one shorter (2.70 Å) and one longer (3.17 Å) Sr(2)-O(4) bond length. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom. The Pr(1)-O(1) bond length is 2.41 Å. The Pr(1)-O(10) bond length is 2.65 Å. The Pr(1)-O(2) bond length is 2.67 Å. The Pr(1)-O(7) bond length is 2.37 Å. The Pr(1)-O(8) bond length is 2.44 Å. The Pr(1)-O(9) bond length is 2.59 Å. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. The Pr(2)-O(11) bond length is 2.51 Å. The Pr(2)-O(12) bond length is 2.46 Å. The Pr(2)-O(3) bond length is 2.63 Å. The Pr(2)-O(4) bond length is 2.40 Å. The Pr(2)-O(5) bond length is 2.48 Å. The Pr(2)-O(6) bond length is 2.42 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-26°. The Ru(1)-O(1) bond length is 2.07 Å. The Ru(1)-O(12) bond length is 2.03 Å. The Ru(1)-O(3) bond length is 1.96 Å. The Ru(1)-O(5) bond length is 2.09 Å. The Ru(1)-O(8) bond length is 2.06 Å. The Ru(1)-O(9) bond length is 2.04 Å. In the second Ru site, Ru(2) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. The Ru(2)-O(10) bond length is 1.99 Å. The Ru(2)-O(11) bond length is 1.99 Å. The Ru(2)-O(2) bond length is 2.07 Å. The Ru(2)-O(4) bond length is 2.08 Å. The Ru(2)-O(6) bond length is 2.06 Å. The Ru(2)-O(7) bond length is 2.02 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom. The Fe(1)-O(1) bond length is 2.36 Å. The Fe(1)-O(10) bond length is 1.99 Å. The Fe(1)-O(11) bond length is 2.04 Å. The Fe(1)-O(3) bond length is 1.99 Å. The Fe(1)-O(6) bond length is 2.20 Å. The Fe(1)-O(7) bond length is 2.27 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 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 17-30°. The Fe(2)-O(12) bond length is 2.02 Å. The Fe(2)-O(2) bond length is 2.15 Å. The Fe(2)-O(4) bond length is 2.09 Å. The Fe(2)-O(5) bond length is 2.12 Å. The Fe(2)-O(8) bond length is 2.01 Å. The Fe(2)-O(9) bond length is 2.03 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(1), one Pr(1), one Ru(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Pr(2), one Ru(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Pr(2), one Ru(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sr(2), one Pr(2), one Ru(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Sr(2), one Pr(1), one Ru(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Ru(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Ru(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(2), one Pr(2), one Ru(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal bipyramidal geometry to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom.