Materials Data on Tm10S19 by Materials Project

Abstract

Tm10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Tm–S bond distances ranging from 2.77–2.87 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Tm–S bond distances ranging from 2.73–2.95 Å. In the third Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Tm–S bond distances ranging from 2.77–3.01 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to five Tm3+ atoms. In the second S+1.58- site, S+1.58- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids. In the third S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Tm3+ and one S+1.58- atom. The S–S bond length is 2.18 Å. In the fourth S+1.58- site, S+1.58- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids. In the fifth S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Tm3+ atoms. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Tm3+ and one S+1.58- atom.