Ba3UIn2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with ten equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent U(1)O6 octahedra, faces with two equivalent In(1)O6 octahedra, faces with two equivalent In(2)O6 octahedra, and faces with two equivalent In(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), two equivalent O(3), two equivalent O(5), three equivalent O(2), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with five equivalent Ba(1)O12 cuboctahedra, corners with seven equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one In(1)O6 octahedra,  a faceface with one In(3)O6 octahedra, faces with three equivalent U(1)O6 octahedra, and faces with three equivalent In(2)O6 octahedra. U(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form UO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent In(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form InO6 octahedra that share corners with two equivalent In(3)O6 octahedra, corners with four equivalent U(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second In site, In(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent In(3)O6 octahedra, corners with four equivalent U(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third In site, In(3) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent In(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(1), and one In(3) atom to form a mixture of distorted face and corner-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one U(1), and one In(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one U(1), and one In(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(2), one U(1), and one In(2) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(2), and one In(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°.
Ba3UIn2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with ten equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent U(1)O6 octahedra, faces with two equivalent In(1)O6 octahedra, faces with two equivalent In(2)O6 octahedra, and faces with two equivalent In(3)O6 octahedra. Both Ba(1)-O(1) bond lengths are 3.05 Å. Both Ba(1)-O(2) bond lengths are 3.10 Å. All Ba(1)-O(3) bond lengths are 3.21 Å. All Ba(1)-O(5) bond lengths are 2.94 Å. In the second Ba site, Ba(2) is bonded to one O(1), two equivalent O(3), two equivalent O(5), three equivalent O(2), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with five equivalent Ba(1)O12 cuboctahedra, corners with seven equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one In(1)O6 octahedra,  a faceface with one In(3)O6 octahedra, faces with three equivalent U(1)O6 octahedra, and faces with three equivalent In(2)O6 octahedra. The Ba(2)-O(1) bond length is 2.87 Å. Both Ba(2)-O(3) bond lengths are 3.03 Å. Both Ba(2)-O(5) bond lengths are 2.86 Å. There are two shorter (3.06 Å) and one longer (3.21 Å) Ba(2)-O(2) bond length. There are two shorter (3.07 Å) and two longer (3.23 Å) Ba(2)-O(4) bond lengths. U(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form UO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent In(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both U(1)-O(2) bond lengths are 2.09 Å. Both U(1)-O(3) bond lengths are 2.09 Å. Both U(1)-O(4) bond lengths are 2.09 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form InO6 octahedra that share corners with two equivalent In(3)O6 octahedra, corners with four equivalent U(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both In(1)-O(1) bond lengths are 2.11 Å. All In(1)-O(3) bond lengths are 2.24 Å. In the second In site, In(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent In(3)O6 octahedra, corners with four equivalent U(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both In(2)-O(2) bond lengths are 2.22 Å. Both In(2)-O(4) bond lengths are 2.20 Å. Both In(2)-O(5) bond lengths are 2.13 Å. In the third In site, In(3) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent In(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both In(3)-O(1) bond lengths are 2.21 Å. All In(3)-O(5) bond lengths are 2.18 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(1), and one In(3) atom to form a mixture of distorted face and corner-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one U(1), and one In(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one U(1), and one In(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(2), one U(1), and one In(2) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(2), and one In(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°.