Materials Data on Gd2SiTeO4 by Materials Project

Abstract

Gd2SiTeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to four equivalent Te2- and six O2- atoms. There are two shorter (3.27 Å) and two longer (3.71 Å) Gd–Te bond lengths. There are a spread of Gd–O bond distances ranging from 2.43–2.49 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to three equivalent Te2- and six O2- atoms. There are a spread of Gd–Te bond distances ranging from 3.13–3.36 Å. There are a spread of Gd–O bond distances ranging from 2.44–2.64 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. Te2- is bonded in a 1-coordinate geometry to seven Gd3+, two equivalent Te2-, and twelve O2- atoms. Both Te–Te bond lengths are 3.74 Å. There are a spread of Te–O bond distances ranging from 3.29–3.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+, one Si4+, and three equivalent Te2- atoms.