Materials Data on GdTa4O12 by Materials Project

Abstract

GdTa4O12 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Gd–O bond distances ranging from 2.40–3.12 Å. Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–16°. There are a spread of Ta–O bond distances ranging from 1.93–2.05 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Gd and two equivalent Ta atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one Gd and two equivalent Ta atoms. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Gd and two equivalent Ta atoms. In the fourth O site, O is bonded in a linear geometry to two equivalent Ta atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to one Gd and two equivalent Ta atoms.