Materials Data on UCuO6 by Materials Project

Abstract

UCuO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one UCuO6 sheet oriented in the (1, 0, 1) direction. U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.50 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and one Cu atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one U and two equivalent Cu atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cu atom.