Materials Data on Nd10S19 by Materials Project
Nd10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Nd–S bond distances ranging from 2.90–3.17 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Nd–S bond distances ranging from 2.90–2.99 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Nd–S bond distances ranging from 2.86–3.12 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 Nd3+ atoms. In the second S+1.58- site, S+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the third S+1.58- site, S+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Nd3+ and one S+1.58- atom. The S–S bond length is 2.16 Å. In the fifth S+1.58- site, S+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Nd3+ and one S+1.58- atom.