Sr3FeRuO7 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Ru(1) is bonded to one O(4), one O(5), and four equivalent O(2) atoms to form RuO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Fe(1) is bonded to one O(3), one O(5), and four equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Ru(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(1)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr5Ru octahedra, corners with four equivalent O(5)Sr4FeRu octahedra, corners with four equivalent O(3)Sr5Fe octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, faces with two equivalent O(5)Sr4FeRu octahedra, faces with two equivalent O(3)Sr5Fe octahedra, and faces with four equivalent O(1)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-54°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(2), and one Fe(1) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(5)Sr4FeRu octahedra, corners with four equivalent O(3)Sr5Fe octahedra, corners with eight equivalent O(1)Sr4Fe2 octahedra, edges with four equivalent O(3)Sr5Fe octahedra, edges with four equivalent O(4)Sr5Ru octahedra, and faces with four equivalent O(1)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(1), and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(5)Sr4FeRu octahedra, corners with four equivalent O(1)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr5Ru octahedra, edges with four equivalent O(3)Sr5Fe octahedra, and edges with four equivalent O(4)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-46°. In the fifth O site, O(5) is bonded to four equivalent Sr(3), one Ru(1), and one Fe(1) atom to form distorted OSr4FeRu octahedra that share  a cornercorner with one O(3)Sr5Fe octahedra,  a cornercorner with one O(4)Sr5Ru octahedra, corners with four equivalent O(5)Sr4FeRu octahedra, corners with eight equivalent O(1)Sr4Fe2 octahedra, edges with four equivalent O(5)Sr4FeRu octahedra, and faces with four equivalent O(1)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°.
Sr3FeRuO7 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. The Sr(1)-O(3) bond length is 2.42 Å. All Sr(1)-O(2) bond lengths are 2.73 Å. All Sr(1)-O(4) bond lengths are 2.76 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. The Sr(2)-O(4) bond length is 2.58 Å. All Sr(2)-O(1) bond lengths are 2.70 Å. All Sr(2)-O(3) bond lengths are 2.77 Å. In the third Sr site, Sr(3) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. All Sr(3)-O(1) bond lengths are 2.63 Å. All Sr(3)-O(2) bond lengths are 3.04 Å. All Sr(3)-O(5) bond lengths are 2.77 Å. Ru(1) is bonded to one O(4), one O(5), and four equivalent O(2) atoms to form RuO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ru(1)-O(4) bond length is 2.08 Å. The Ru(1)-O(5) bond length is 1.97 Å. All Ru(1)-O(2) bond lengths are 1.95 Å. Fe(1) is bonded to one O(3), one O(5), and four equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Ru(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. The Fe(1)-O(3) bond length is 2.01 Å. The Fe(1)-O(5) bond length is 2.26 Å. All Fe(1)-O(1) bond lengths are 1.95 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(1)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr5Ru octahedra, corners with four equivalent O(5)Sr4FeRu octahedra, corners with four equivalent O(3)Sr5Fe octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, faces with two equivalent O(5)Sr4FeRu octahedra, faces with two equivalent O(3)Sr5Fe octahedra, and faces with four equivalent O(1)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-54°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(2), and one Fe(1) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(5)Sr4FeRu octahedra, corners with four equivalent O(3)Sr5Fe octahedra, corners with eight equivalent O(1)Sr4Fe2 octahedra, edges with four equivalent O(3)Sr5Fe octahedra, edges with four equivalent O(4)Sr5Ru octahedra, and faces with four equivalent O(1)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(1), and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(5)Sr4FeRu octahedra, corners with four equivalent O(1)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr5Ru octahedra, edges with four equivalent O(3)Sr5Fe octahedra, and edges with four equivalent O(4)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-46°. In the fifth O site, O(5) is bonded to four equivalent Sr(3), one Ru(1), and one Fe(1) atom to form distorted OSr4FeRu octahedra that share  a cornercorner with one O(3)Sr5Fe octahedra,  a cornercorner with one O(4)Sr5Ru octahedra, corners with four equivalent O(5)Sr4FeRu octahedra, corners with eight equivalent O(1)Sr4Fe2 octahedra, edges with four equivalent O(5)Sr4FeRu octahedra, and faces with four equivalent O(1)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°.