Materials Data on Lu2S3 by Materials Project

Lu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.66–3.18 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.68–2.99 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.70–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Lu3+ atoms. In the second S2- site, S2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLu5 trigonal bipyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Lu3+ atoms.