Sr4La2Mn3(IrO6)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(3) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent La(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(3) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent La(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra,  a faceface with one Ir(1)O6 octahedra, faces with three equivalent Ir(2)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. La(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Ir(2)O6 octahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Ir(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the second Mn site, Mn(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Ir(1)O6 octahedra, corners with three equivalent Ir(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form IrO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Ir site, Ir(2) is bonded to six equivalent O(2) atoms to form IrO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sr(1), one La(1), one Mn(1), and one Ir(1) atom to form distorted OSr3LaMnIr octahedra that share corners with three equivalent O(2)Sr3LaMnIr octahedra, corners with eight equivalent O(3)Sr2La2MnIr octahedra, corners with eleven equivalent O(1)Sr3LaMnIr octahedra, edges with two equivalent O(3)Sr2La2MnIr octahedra, edges with two equivalent O(1)Sr3LaMnIr octahedra, faces with two equivalent O(3)Sr2La2MnIr octahedra, and faces with six equivalent O(1)Sr3LaMnIr octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to three equivalent Sr(2), one La(1), one Mn(2), and one Ir(2) atom to form distorted OSr3LaMnIr octahedra that share corners with three equivalent O(1)Sr3LaMnIr octahedra, corners with eight equivalent O(3)Sr2La2MnIr octahedra, corners with eleven equivalent O(2)Sr3LaMnIr octahedra, edges with two equivalent O(3)Sr2La2MnIr octahedra, edges with two equivalent O(2)Sr3LaMnIr octahedra, faces with two equivalent O(3)Sr2La2MnIr octahedra, and faces with six equivalent O(2)Sr3LaMnIr octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent La(1), one Mn(2), and one Ir(1) atom to form distorted OSr2La2MnIr octahedra that share corners with six equivalent O(3)Sr2La2MnIr octahedra, corners with eight equivalent O(1)Sr3LaMnIr octahedra, corners with eight equivalent O(2)Sr3LaMnIr octahedra, edges with two equivalent O(1)Sr3LaMnIr octahedra, edges with two equivalent O(2)Sr3LaMnIr octahedra, faces with two equivalent O(1)Sr3LaMnIr octahedra, faces with two equivalent O(2)Sr3LaMnIr octahedra, and faces with four equivalent O(3)Sr2La2MnIr octahedra. The corner-sharing octahedral tilt angles range from 1-61°.
Sr4La2Mn3(IrO6)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(3) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent La(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. All Sr(1)-O(3) bond lengths are 2.82 Å. There are six shorter (2.84 Å) and three longer (2.93 Å) Sr(1)-O(1) bond lengths. In the second Sr site, Sr(2) is bonded to three equivalent O(3) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent La(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra,  a faceface with one Ir(1)O6 octahedra, faces with three equivalent Ir(2)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. All Sr(2)-O(3) bond lengths are 2.81 Å. There are six shorter (2.84 Å) and three longer (2.91 Å) Sr(2)-O(2) bond lengths. La(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Ir(2)O6 octahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Ir(1)O6 octahedra. All La(1)-O(1) bond lengths are 2.75 Å. All La(1)-O(2) bond lengths are 2.74 Å. All La(1)-O(3) bond lengths are 2.84 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. All Mn(1)-O(1) bond lengths are 2.03 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Ir(1)O6 octahedra, corners with three equivalent Ir(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. All Mn(2)-O(2) bond lengths are 2.03 Å. All Mn(2)-O(3) bond lengths are 2.03 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form IrO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. All Ir(1)-O(1) bond lengths are 1.97 Å. All Ir(1)-O(3) bond lengths are 1.99 Å. In the second Ir site, Ir(2) is bonded to six equivalent O(2) atoms to form IrO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. All Ir(2)-O(2) bond lengths are 1.98 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sr(1), one La(1), one Mn(1), and one Ir(1) atom to form distorted OSr3LaMnIr octahedra that share corners with three equivalent O(2)Sr3LaMnIr octahedra, corners with eight equivalent O(3)Sr2La2MnIr octahedra, corners with eleven equivalent O(1)Sr3LaMnIr octahedra, edges with two equivalent O(3)Sr2La2MnIr octahedra, edges with two equivalent O(1)Sr3LaMnIr octahedra, faces with two equivalent O(3)Sr2La2MnIr octahedra, and faces with six equivalent O(1)Sr3LaMnIr octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to three equivalent Sr(2), one La(1), one Mn(2), and one Ir(2) atom to form distorted OSr3LaMnIr octahedra that share corners with three equivalent O(1)Sr3LaMnIr octahedra, corners with eight equivalent O(3)Sr2La2MnIr octahedra, corners with eleven equivalent O(2)Sr3LaMnIr octahedra, edges with two equivalent O(3)Sr2La2MnIr octahedra, edges with two equivalent O(2)Sr3LaMnIr octahedra, faces with two equivalent O(3)Sr2La2MnIr octahedra, and faces with six equivalent O(2)Sr3LaMnIr octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent La(1), one Mn(2), and one Ir(1) atom to form distorted OSr2La2MnIr octahedra that share corners with six equivalent O(3)Sr2La2MnIr octahedra, corners with eight equivalent O(1)Sr3LaMnIr octahedra, corners with eight equivalent O(2)Sr3LaMnIr octahedra, edges with two equivalent O(1)Sr3LaMnIr octahedra, edges with two equivalent O(2)Sr3LaMnIr octahedra, faces with two equivalent O(1)Sr3LaMnIr octahedra, faces with two equivalent O(2)Sr3LaMnIr octahedra, and faces with four equivalent O(3)Sr2La2MnIr octahedra. The corner-sharing octahedral tilt angles range from 1-61°.