Materials Data on GdTe2ClO5 by Materials Project

Abstract

GdTe2O5Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to twelve O2- atoms to form a mixture of distorted corner and face-sharing GdO12 cuboctahedra. There are eight shorter (2.50 Å) and four longer (2.79 Å) Gd–O bond lengths. Te4+ is bonded in a 5-coordinate geometry to five O2- and four equivalent Cl1- atoms. There are four shorter (2.08 Å) and one longer (2.21 Å) Te–O bond lengths. All Te–Cl bond lengths are 3.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+, two equivalent Te4+, and two equivalent Cl1- atoms to form a mixture of distorted corner, edge, and face-sharing OGd2Te2Cl2 tetrahedra. Both O–Cl bond lengths are 3.37 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Gd3+ and two equivalent Te4+ atoms. Cl1- is bonded in a 8-coordinate geometry to eight equivalent Te4+ and eight equivalent O2- atoms.