Materials Data on Gd10S19 by Materials Project
Gd10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.79–3.04 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–2.94 Å. In the third Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.10 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 four Gd3+ and one S+1.58- atom. The S–S bond length is 2.15 Å. In the second S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. In the sixth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids.