Materials Data on Ho2Se3 by Materials Project
Ho2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Ho–Se bond distances ranging from 2.85–2.88 Å. In the second Ho3+ site, Ho3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing HoSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Ho–Se bond distances ranging from 2.84–2.88 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms.