Materials Data on La5S8 by Materials Project

La5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six S+1.88- atoms to form LaS6 octahedra that share corners with three equivalent LaS4 tetrahedra and edges with six equivalent LaS6 octahedra. There are three shorter (2.83 Å) and three longer (2.97 Å) La–S bond lengths. In the second La3+ site, La3+ is bonded to four equivalent S+1.88- atoms to form corner-sharing LaS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All La–S bond lengths are 2.80 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted T-shaped geometry to three equivalent La3+ atoms. In the second S+1.88- site, S+1.88- is bonded to four La3+ atoms to form a mixture of distorted corner and edge-sharing SLa4 trigonal pyramids.