Materials Data on Tb2SiSeO4 by Materials Project
Tb2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Tb–Se bond lengths are 3.06 Å. There are a spread of Tb–O bond distances ranging from 2.37–2.45 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.89 Å) and one longer (3.00 Å) Tb–Se bond lengths. There are a spread of Tb–O bond distances ranging from 2.41–2.55 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Tb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom.