Cs3AuO crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 2-coordinate geometry to four equivalent Au(1) and two equivalent O(1) atoms. Au(1) is bonded to twelve equivalent Cs(1) atoms to form AuCs12 cuboctahedra that share corners with six equivalent Au(1)Cs12 cuboctahedra, corners with six equivalent O(1)Cs6 octahedra, faces with eight equivalent Au(1)Cs12 cuboctahedra, and faces with six equivalent O(1)Cs6 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded to six equivalent Cs(1) atoms to form OCs6 octahedra that share corners with six equivalent Au(1)Cs12 cuboctahedra, faces with six equivalent Au(1)Cs12 cuboctahedra, and faces with two equivalent O(1)Cs6 octahedra.
Cs3AuO crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 2-coordinate geometry to four equivalent Au(1) and two equivalent O(1) atoms. There are two shorter (3.93 Å) and two longer (4.25 Å) Cs(1)-Au(1) bond lengths. Both Cs(1)-O(1) bond lengths are 2.81 Å. Au(1) is bonded to twelve equivalent Cs(1) atoms to form AuCs12 cuboctahedra that share corners with six equivalent Au(1)Cs12 cuboctahedra, corners with six equivalent O(1)Cs6 octahedra, faces with eight equivalent Au(1)Cs12 cuboctahedra, and faces with six equivalent O(1)Cs6 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded to six equivalent Cs(1) atoms to form OCs6 octahedra that share corners with six equivalent Au(1)Cs12 cuboctahedra, faces with six equivalent Au(1)Cs12 cuboctahedra, and faces with two equivalent O(1)Cs6 octahedra.