Materials Data on La4S7 by Materials Project

Abstract

La4S7 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. La+2.50+ is bonded in a 8-coordinate geometry to eight S+1.43- atoms. There are four shorter (2.96 Å) and four longer (2.99 Å) La–S bond lengths. There are three inequivalent S+1.43- sites. In the first S+1.43- site, S+1.43- is bonded to five equivalent La+2.50+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S+1.43- site, S+1.43- is bonded in a 6-coordinate geometry to four equivalent La+2.50+ atoms. In the third S+1.43- site, S+1.43- is bonded in a 8-coordinate geometry to four equivalent La+2.50+ atoms.