Materials Data on La10S19 by Materials Project

Abstract

La10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.95–3.23 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.90–3.19 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.94–3.05 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the third S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four La3+ and one S+1.58- atom. The S–S bond length is 2.14 Å. In the fifth S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four La3+ and one S+1.58- atom.