Sr4MnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two 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. Mn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Ru(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(1)Sr4Ru2 octahedra, corners with four equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(3)Sr5Ru octahedra, edges with two equivalent O(1)Sr4Ru2 octahedra, faces with four equivalent O(1)Sr4Ru2 octahedra, and faces with four equivalent O(3)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(4)Sr5Mn octahedra, edges with two equivalent O(2)Sr4Mn2 octahedra, faces with four equivalent O(2)Sr4Mn2 octahedra, and faces with four equivalent O(4)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(2), and one Ru(1) atom to form OSr5Ru octahedra that share corners with four equivalent O(2)Sr4Mn2 octahedra, corners with five equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(1)Sr4Ru2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(1)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(1), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(1)Sr4Ru2 octahedra, corners with five equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(2)Sr4Mn2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.
Sr4MnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two 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 2.55 Å. All Sr(1)-O(2) bond lengths are 2.63 Å. All Sr(1)-O(4) bond lengths are 2.79 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 2.41 Å. All Sr(2)-O(1) bond lengths are 2.75 Å. All Sr(2)-O(3) bond lengths are 2.78 Å. Mn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Both Mn(1)-O(4) bond lengths are 2.00 Å. All Mn(1)-O(2) bond lengths are 1.96 Å. Ru(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. Both Ru(1)-O(3) bond lengths are 2.04 Å. All Ru(1)-O(1) bond lengths are 1.96 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(1)Sr4Ru2 octahedra, corners with four equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(3)Sr5Ru octahedra, edges with two equivalent O(1)Sr4Ru2 octahedra, faces with four equivalent O(1)Sr4Ru2 octahedra, and faces with four equivalent O(3)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(4)Sr5Mn octahedra, edges with two equivalent O(2)Sr4Mn2 octahedra, faces with four equivalent O(2)Sr4Mn2 octahedra, and faces with four equivalent O(4)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(2), and one Ru(1) atom to form OSr5Ru octahedra that share corners with four equivalent O(2)Sr4Mn2 octahedra, corners with five equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(1)Sr4Ru2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(1)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(1), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(1)Sr4Ru2 octahedra, corners with five equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(2)Sr4Mn2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.