Cs2Pt crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to five equivalent Pt(1) atoms to form distorted CsPt5 trigonal bipyramids that share corners with twelve equivalent Cs(2)Pt6 octahedra, corners with eight equivalent Cs(1)Pt5 trigonal bipyramids, edges with six equivalent Cs(1)Pt5 trigonal bipyramids, and faces with six equivalent Cs(2)Pt6 octahedra. The corner-sharing octahedral tilt angles range from 30-60°. In the second Cs site, Cs(2) is bonded to six equivalent Pt(1) atoms to form distorted CsPt6 octahedra that share corners with twelve equivalent Cs(2)Pt6 octahedra, corners with twelve equivalent Cs(1)Pt5 trigonal bipyramids, edges with six equivalent Cs(2)Pt6 octahedra, faces with two equivalent Cs(2)Pt6 octahedra, and faces with six equivalent Cs(1)Pt5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. Pt(1) is bonded in a 11-coordinate geometry to five equivalent Cs(1) and six equivalent Cs(2) atoms.
Cs2Pt crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to five equivalent Pt(1) atoms to form distorted CsPt5 trigonal bipyramids that share corners with twelve equivalent Cs(2)Pt6 octahedra, corners with eight equivalent Cs(1)Pt5 trigonal bipyramids, edges with six equivalent Cs(1)Pt5 trigonal bipyramids, and faces with six equivalent Cs(2)Pt6 octahedra. The corner-sharing octahedral tilt angles range from 30-60°. There are three shorter (3.35 Å) and two longer (3.95 Å) Cs(1)-Pt(1) bond lengths. In the second Cs site, Cs(2) is bonded to six equivalent Pt(1) atoms to form distorted CsPt6 octahedra that share corners with twelve equivalent Cs(2)Pt6 octahedra, corners with twelve equivalent Cs(1)Pt5 trigonal bipyramids, edges with six equivalent Cs(2)Pt6 octahedra, faces with two equivalent Cs(2)Pt6 octahedra, and faces with six equivalent Cs(1)Pt5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. All Cs(2)-Pt(1) bond lengths are 3.89 Å. Pt(1) is bonded in a 11-coordinate geometry to five equivalent Cs(1) and six equivalent Cs(2) atoms.