Raman spectroscopic study of the arsenite minerals leiteite ZnAs 2 O 4 , reinerite Zn 3 (AsO 3 ) 2 and cafarsite Ca 5 (Ti,Fe,Mn) 7 (AsO 3 ) 12 ·4H 2 O

The selected arsenite minerals leiteite, reinerite and cafarsite have been studied by Raman spectroscopy. Density functional theory (DFT) calculations enabled the position of the AsO 2 2− symmetric stretching mode at 839 cm −1 , the antisymmetric stretching mode at 813 cm −1 and the deformation mode at 449 cm −1 to be calculated. The Raman spectrum of leiteite shows bands at 804 and 763 cm −1 assigned to the As 2 O 4 2− symmetric and antisymmetric stretching modes. The most intense Raman band of leiteite is the band at 457 cm −1 and is assigned to the ν 2 As 2 O 4 2− bending mode. A comparison of the Raman spectrum of leiteite is made with the arsenite minerals reinerite and cafarsite. Copyright © 2009 John Wiley & Sons, Ltd.