Materials Data on Ho2Se3 by Materials Project
Ho2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ho–Se bond distances ranging from 2.84–3.27 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ho–Se bond distances ranging from 2.87–3.14 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ho–Se bond distances ranging from 2.88–3.22 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ho3+ atoms. In the second Se2- site, Se2- is bonded to five Ho3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeHo5 square pyramids. In the third Se2- site, Se2- is bonded to five Ho3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeHo5 square pyramids.