Materials Data on CdC2O7 by Materials Project

Abstract

CdC2O5O2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one CdC2O5 ribbon oriented in the (1, 0, 0) direction. In the CdC2O5 ribbon, Cd is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.06–2.79 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one C atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one C atom. In the third O site, O is bonded in a single-bond geometry to one Cd and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one C atom. In the fifth O site, O is bonded in a single-bond geometry to one Cd atom.