LiSr2Pr2Fe2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ru(1)O6 octahedra,  a cornercorner with one Ru(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  an edgeedge with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-65°. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(4), one O(5), one O(6), one O(7), one O(9), and two equivalent O(3) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) 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 and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-30°. 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,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-35°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to 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, corners with four equivalent Ru(1)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-35°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to 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 5-coordinate geometry to one Li(1), 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 5-coordinate geometry to one Li(1), one Sr(2), one Pr(2), one Ru(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Sr(2), one Pr(1), one Pr(2), one Ru(1), and one Fe(2) atom to form distorted OSrPr2FeRu trigonal bipyramids that share edges with two equivalent O(12)Sr2PrFeRu square pyramids and edges with two equivalent O(8)SrPr2FeRu square pyramids. 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 Pr(2), one Ru(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Pr(1), one Ru(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Pr(1), one Pr(2), one Ru(1), and one Fe(2) atom to form distorted OSrPr2FeRu square pyramids that share corners with two equivalent O(12)Sr2PrFeRu square pyramids,  an edgeedge with one O(12)Sr2PrFeRu square pyramid, and edges with two equivalent O(5)SrPr2FeRu trigonal bipyramids. 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 5-coordinate geometry to one Sr(2), one Pr(1), one Pr(2), one Ru(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr2PrFeRu square pyramids.
LiSr2Pr2Fe2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ru(1)O6 octahedra,  a cornercorner with one Ru(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  an edgeedge with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-65°. The Li(1)-O(3) bond length is 1.87 Å. The Li(1)-O(4) bond length is 1.97 Å. The Li(1)-O(6) bond length is 1.94 Å. The Li(1)-O(7) bond length is 1.83 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. The Sr(1)-O(1) bond length is 2.57 Å. The Sr(1)-O(10) bond length is 2.51 Å. The Sr(1)-O(12) bond length is 2.68 Å. The Sr(1)-O(2) bond length is 2.50 Å. The Sr(1)-O(6) bond length is 2.72 Å. The Sr(1)-O(7) bond length is 2.72 Å. The Sr(1)-O(8) bond length is 2.59 Å. The Sr(1)-O(9) bond length is 2.72 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(4), one O(5), one O(6), one O(7), one O(9), and two equivalent O(3) atoms. The Sr(2)-O(11) bond length is 2.53 Å. The Sr(2)-O(12) bond length is 2.63 Å. The Sr(2)-O(4) bond length is 2.62 Å. The Sr(2)-O(5) bond length is 2.47 Å. The Sr(2)-O(6) bond length is 2.65 Å. The Sr(2)-O(7) bond length is 2.77 Å. The Sr(2)-O(9) bond length is 2.91 Å. There is one shorter (2.57 Å) and one longer (2.99 Å) Sr(2)-O(3) bond length. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. The Pr(1)-O(1) bond length is 2.40 Å. The Pr(1)-O(10) bond length is 2.59 Å. The Pr(1)-O(11) bond length is 2.82 Å. The Pr(1)-O(2) bond length is 2.47 Å. The Pr(1)-O(5) bond length is 2.71 Å. The Pr(1)-O(7) bond length is 2.49 Å. The Pr(1)-O(8) bond length is 2.53 Å. The Pr(1)-O(9) bond length is 2.45 Å. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The Pr(2)-O(11) bond length is 2.54 Å. The Pr(2)-O(12) bond length is 2.44 Å. The Pr(2)-O(3) bond length is 2.40 Å. The Pr(2)-O(4) bond length is 2.51 Å. The Pr(2)-O(5) bond length is 2.41 Å. The Pr(2)-O(6) bond length is 2.57 Å. The Pr(2)-O(8) bond length is 2.54 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 and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-30°. The Ru(1)-O(1) bond length is 2.04 Å. The Ru(1)-O(12) bond length is 2.12 Å. The Ru(1)-O(3) bond length is 2.11 Å. The Ru(1)-O(5) bond length is 2.08 Å. The Ru(1)-O(8) bond length is 2.11 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(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,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-35°. The Ru(2)-O(10) bond length is 2.07 Å. The Ru(2)-O(11) bond length is 2.05 Å. The Ru(2)-O(2) bond length is 2.00 Å. The Ru(2)-O(4) bond length is 2.09 Å. The Ru(2)-O(6) bond length is 2.03 Å. The Ru(2)-O(7) bond length is 2.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to 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 1.94 Å. The Fe(1)-O(10) bond length is 1.94 Å. The Fe(1)-O(11) bond length is 1.98 Å. The Fe(1)-O(3) bond length is 2.11 Å. The Fe(1)-O(6) bond length is 2.54 Å. The Fe(1)-O(7) bond length is 2.13 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, corners with four equivalent Ru(1)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-35°. The Fe(2)-O(12) bond length is 2.09 Å. The Fe(2)-O(2) bond length is 2.03 Å. The Fe(2)-O(4) bond length is 2.11 Å. The Fe(2)-O(5) bond length is 2.11 Å. The Fe(2)-O(8) bond length is 2.14 Å. The Fe(2)-O(9) bond length is 2.00 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to 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 5-coordinate geometry to one Li(1), 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 5-coordinate geometry to one Li(1), one Sr(2), one Pr(2), one Ru(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Sr(2), one Pr(1), one Pr(2), one Ru(1), and one Fe(2) atom to form distorted OSrPr2FeRu trigonal bipyramids that share edges with two equivalent O(12)Sr2PrFeRu square pyramids and edges with two equivalent O(8)SrPr2FeRu square pyramids. 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 Pr(2), one Ru(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Pr(1), one Ru(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Pr(1), one Pr(2), one Ru(1), and one Fe(2) atom to form distorted OSrPr2FeRu square pyramids that share corners with two equivalent O(12)Sr2PrFeRu square pyramids,  an edgeedge with one O(12)Sr2PrFeRu square pyramid, and edges with two equivalent O(5)SrPr2FeRu trigonal bipyramids. 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 5-coordinate geometry to one Sr(2), one Pr(1), one Pr(2), one Ru(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr2PrFeRu square pyramids.