Mid-IR and Raman Spectral Properties of Geometrically Frustrated Atacamite Hydroxyl Copper Chloride

Abstract

The mid-IR and Raman spectra of geometrically frustrated atacamite hydroxyl copper chloride are measured by FTIR spectroscopy and HR800 Raman spectroscopy, respectively. The microscopic origins of bands within the functional group and the fingerprint regions are suggested by the known crystal structure parameters. Five distinct regions involved in hydroxyl stretching, overtones, hydroxyl deformation, Cu-O stretching, O–Cu–O symmetric stretching and O–Cu–O bending modes, pyramid-structure Cl≡Cu3 vibration modes, lattice modes, respectively.