CaYb2S4 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Yb(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. S(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Yb(1) atoms.
CaYb2S4 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. There are four shorter (2.83 Å) and four longer (3.19 Å) Ca(1)-S(1) bond lengths. Yb(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb(1)-S(1) bond distances ranging from 2.84-2.95 Å. S(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Yb(1) atoms.