Infrared and Raman spectroscopic characterization of the silicate–carbonate mineral carletonite – KNa4Ca4Si8O18(CO3)4(OH,F)·H2O

• Carletonite is a rare phyllosilicate mineral of the apophyllite mineral group.
• Its general formula is KNa4Ca4Si8O18(CO3)4(OH,F)·H2O.
• We have made an assessment of the molecular structure using vibrational spectroscopy.
• Multiple water stretching and bending modes are observed.

An assessment of the molecular structure of carletonite a rare phyllosilicate mineral with general chemical formula given as KNa4Ca4Si8O18(CO3)4(OH,F)·H2O has been undertaken using vibrational spectroscopy. Carletonite has a complex layered structure. Within one period of c, it contains a silicate layer of composition NaKSi8O18·H2O, a carbonate layer of composition NaCO3·0.5H2O and two carbonate layers of composition NaCa2CO3(F,OH)0.5.Raman bands are observed at 1066, 1075 and 1086 cm−1. Whether these bands are due to the CO32- ν1 symmetric stretching mode or to an SiO stretching vibration is open to question.Multiple bands are observed in the 300–800 cm−1 spectral region, making the attribution of these bands difficult. Multiple water stretching and bending modes are observed showing that there is much variation in hydrogen bonding between water and the silicate and carbonate surfaces.