Ba3RuIrInO9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with two equivalent In(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ir(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ir(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ir(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Ir(1)O6 octahedra, and faces with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent In(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. 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 Ba(2)O12 cuboctahedra, corners with three equivalent In(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Ir(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ir(1) atom to form distorted OBa4IrRu octahedra that share corners with six equivalent O(1)Ba4IrRu octahedra, corners with eight equivalent O(3)Ba4InIr octahedra, edges with two equivalent O(3)Ba4InIr octahedra, faces with two equivalent O(3)Ba4InIr octahedra, and faces with four equivalent O(1)Ba4IrRu octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one In(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ir(1), and one In(1) atom to form distorted OBa4InIr octahedra that share corners with six equivalent O(3)Ba4InIr octahedra, corners with eight equivalent O(1)Ba4IrRu octahedra, edges with two equivalent O(1)Ba4IrRu octahedra, faces with two equivalent O(1)Ba4IrRu octahedra, and faces with four equivalent O(3)Ba4InIr octahedra. The corner-sharing octahedral tilt angles range from 3-61°.
Ba3RuIrInO9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with two equivalent In(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ir(1)O6 octahedra. All Ba(1)-O(2) bond lengths are 2.99 Å. All Ba(1)-O(3) bond lengths are 3.00 Å. All Ba(1)-O(1) bond lengths are 2.96 Å. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ir(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ir(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Ba(2)-O(1) bond lengths are 2.99 Å. All Ba(2)-O(3) bond lengths are 2.95 Å. All Ba(2)-O(2) bond lengths are 2.95 Å. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Ir(1)O6 octahedra, and faces with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Ba(3)-O(1) bond lengths are 2.98 Å. All Ba(3)-O(2) bond lengths are 3.02 Å. All Ba(3)-O(3) bond lengths are 2.96 Å. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent In(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ru(1)-O(1) bond lengths are 2.03 Å. All Ru(1)-O(2) bond lengths are 1.98 Å. 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 Ba(2)O12 cuboctahedra, corners with three equivalent In(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ir(1)-O(1) bond lengths are 2.03 Å. All Ir(1)-O(3) bond lengths are 2.01 Å. In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Ir(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. All In(1)-O(2) bond lengths are 2.17 Å. All In(1)-O(3) bond lengths are 2.15 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ir(1) atom to form distorted OBa4IrRu octahedra that share corners with six equivalent O(1)Ba4IrRu octahedra, corners with eight equivalent O(3)Ba4InIr octahedra, edges with two equivalent O(3)Ba4InIr octahedra, faces with two equivalent O(3)Ba4InIr octahedra, and faces with four equivalent O(1)Ba4IrRu octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one In(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ir(1), and one In(1) atom to form distorted OBa4InIr octahedra that share corners with six equivalent O(3)Ba4InIr octahedra, corners with eight equivalent O(1)Ba4IrRu octahedra, edges with two equivalent O(1)Ba4IrRu octahedra, faces with two equivalent O(1)Ba4IrRu octahedra, and faces with four equivalent O(3)Ba4InIr octahedra. The corner-sharing octahedral tilt angles range from 3-61°.