Cs2NaUBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pa-3 space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent Na(1)Br6 octahedra, and faces with four equivalent U(1)Br6 octahedra. Na(1) is bonded to six equivalent Br(1) atoms to form NaBr6 octahedra that share corners with six equivalent U(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. U(1) is bonded to six equivalent Br(1) atoms to form UBr6 octahedra that share corners with six equivalent Na(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. Br(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Na(1), and one U(1) atom.
Cs2NaUBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pa-3 space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent Na(1)Br6 octahedra, and faces with four equivalent U(1)Br6 octahedra. There are a spread of Cs(1)-Br(1) bond distances ranging from 4.03-4.24 Å. Na(1) is bonded to six equivalent Br(1) atoms to form NaBr6 octahedra that share corners with six equivalent U(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Na(1)-Br(1) bond lengths are 2.96 Å. U(1) is bonded to six equivalent Br(1) atoms to form UBr6 octahedra that share corners with six equivalent Na(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All U(1)-Br(1) bond lengths are 2.89 Å. Br(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Na(1), and one U(1) atom.