BaK4U3O12 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent O(2) atoms to form KO6 octahedra that share corners with six equivalent U(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent K(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. In the second K site, K(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent K(2)O12 cuboctahedra, faces with two equivalent K(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent K(2)O12 cuboctahedra, faces with six equivalent K(2)O12 cuboctahedra, faces with two equivalent K(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent U(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent K(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent K(2), one Ba(1), and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), three equivalent K(2), one Ba(1), and one U(1) atom.
BaK4U3O12 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent O(2) atoms to form KO6 octahedra that share corners with six equivalent U(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent K(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All K(1)-O(2) bond lengths are 2.52 Å. In the second K site, K(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent K(2)O12 cuboctahedra, faces with two equivalent K(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. There are four shorter (3.15 Å) and two longer (3.18 Å) K(2)-O(1) bond lengths. There are four shorter (3.13 Å) and two longer (3.24 Å) K(2)-O(2) bond lengths. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent K(2)O12 cuboctahedra, faces with six equivalent K(2)O12 cuboctahedra, faces with two equivalent K(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.05 Å. All Ba(1)-O(2) bond lengths are 3.08 Å. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent U(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent K(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-4°. Both U(1)-O(2) bond lengths are 1.91 Å. All U(1)-O(1) bond lengths are 2.22 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent K(2), one Ba(1), and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), three equivalent K(2), one Ba(1), and one U(1) atom.