Materials Data on ThCrO7 by Materials Project

Abstract

(ThCrO6)2O2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two water molecules and one ThCrO6 framework. In the ThCrO6 framework, Th is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Th–O bond distances ranging from 2.36–2.40 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.66 Å) and one longer (1.67 Å) Cr–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Th and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded in a distorted linear geometry to one Th and one Cr atom. In the third O site, O is bonded in a distorted linear geometry to one Th and one Cr atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one Cr atom.