Materials Data on Ce3S4 by Materials Project

Ce3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded to eight equivalent S atoms to form a mixture of distorted corner, edge, and face-sharing CeS8 hexagonal bipyramids. There are four shorter (2.88 Å) and four longer (3.03 Å) Ce–S bond lengths. S is bonded to six equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing SCe6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.