10.17188/1192599
None Available
Materials Data on Er2SiSeO4 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
Er2SiSeO4
Er-O-Se-Si
The Materials Project
2020
en
Er2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Er–Se bond lengths are 3.02 Å. There are a spread of Er–O bond distances ranging from 2.32–2.42 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Er–Se bond lengths. There are a spread of Er–O bond distances ranging from 2.37–2.53 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Er3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom.