Materials Data on CuCO3 by Materials Project

Abstract

CuCO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two CuCO3 sheets oriented in the (0, 0, 1) direction. Cu2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–2.01 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Cu2+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and one C4+ atom.