Materials Data on Nd2S3 by Materials Project
Nd2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.83–3.22 Å. In the second Nd3+ site, Nd3+ is bonded to eight S2- atoms to form a mixture of distorted edge, corner, and face-sharing NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.86–3.05 Å. In the third Nd3+ site, Nd3+ is bonded to eight S2- atoms to form a mixture of distorted edge, corner, and face-sharing NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.88–3.11 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SNd5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third S2- site, S2- is bonded to five Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SNd5 square pyramids.