Materials Data on Sc(IO3)3 by Materials Project

Abstract

Sc(IO3)3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Sc(IO3)3 sheets oriented in the (0, 0, 1) direction. Sc3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.12 Å) and three longer (2.13 Å) Sc–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sc3+ and one I5+ atom. The O–I bond length is 1.85 Å. I5+ is bonded in a 4-coordinate geometry to three O2- atoms.