KTh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to twelve Th(1,1) atoms to form KTh12 cuboctahedra that share corners with six equivalent K(1)Th12 cuboctahedra; corners with twelve equivalent Th(1)K4Th8 cuboctahedra; edges with eighteen Th(1,1)K4Th8 cuboctahedra; faces with eight equivalent K(1)Th12 cuboctahedra; and faces with twelve Th(1,1)K4Th8 cuboctahedra. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent K(1) and eight equivalent Th(1) atoms to form distorted ThK4Th8 cuboctahedra that share corners with four equivalent K(1)Th12 cuboctahedra; corners with fourteen Th(1,1)K4Th8 cuboctahedra; edges with six equivalent K(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)K4Th8 cuboctahedra; faces with four equivalent K(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)K4Th8 cuboctahedra. In the second Th site, Th(1) is bonded to four equivalent K(1) and eight Th(1,1) atoms to form distorted ThK4Th8 cuboctahedra that share corners with four equivalent K(1)Th12 cuboctahedra; corners with fourteen Th(1,1)K4Th8 cuboctahedra; edges with six equivalent K(1)Th12 cuboctahedra; edges with twelve Th(1,1)K4Th8 cuboctahedra; faces with four equivalent K(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)K4Th8 cuboctahedra.
KTh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to twelve Th(1,1) atoms to form KTh12 cuboctahedra that share corners with six equivalent K(1)Th12 cuboctahedra; corners with twelve equivalent Th(1)K4Th8 cuboctahedra; edges with eighteen Th(1,1)K4Th8 cuboctahedra; faces with eight equivalent K(1)Th12 cuboctahedra; and faces with twelve Th(1,1)K4Th8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.77 Å) K(1)-Th(1,1) bond lengths. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent K(1) and eight equivalent Th(1) atoms to form distorted ThK4Th8 cuboctahedra that share corners with four equivalent K(1)Th12 cuboctahedra; corners with fourteen Th(1,1)K4Th8 cuboctahedra; edges with six equivalent K(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)K4Th8 cuboctahedra; faces with four equivalent K(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)K4Th8 cuboctahedra. There are a spread of Th(1)-Th(1) bond distances ranging from 3.47-3.95 Å. In the second Th site, Th(1) is bonded to four equivalent K(1) and eight Th(1,1) atoms to form distorted ThK4Th8 cuboctahedra that share corners with four equivalent K(1)Th12 cuboctahedra; corners with fourteen Th(1,1)K4Th8 cuboctahedra; edges with six equivalent K(1)Th12 cuboctahedra; edges with twelve Th(1,1)K4Th8 cuboctahedra; faces with four equivalent K(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)K4Th8 cuboctahedra. There are a spread of Th(1)-Th(1) bond distances ranging from 3.47-3.95 Å.