Materials Data on EuTiClO3 by Materials Project

Abstract

EuTiO3Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Eu3+ is bonded in a 3-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.23–2.66 Å. There are three shorter (2.96 Å) and one longer (3.15 Å) Eu–Cl bond lengths. Ti4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Ti–O bond distances ranging from 1.85–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Eu3+ and three equivalent Ti4+ atoms. Cl1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.