Materials Data on Nd4S7 by Materials Project

Abstract

Nd4S7 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Nd+2.50+ is bonded in a 8-coordinate geometry to eight S+1.43- atoms. There are a spread of Nd–S bond distances ranging from 2.90–2.96 Å. There are three inequivalent S+1.43- sites. In the first S+1.43- site, S+1.43- is bonded in a 8-coordinate geometry to four equivalent Nd+2.50+ atoms. In the second S+1.43- site, S+1.43- is bonded to five equivalent Nd+2.50+ atoms to form a mixture of distorted corner and edge-sharing SNd5 trigonal bipyramids. In the third S+1.43- site, S+1.43- is bonded in a 6-coordinate geometry to four equivalent Nd+2.50+ atoms.