Whelanite Ca5Cu2(OH)2CO3,Si6O17·4H2O—A vibrational spectroscopic study

Abstract

Whelanite Ca5Cu2(OH)2CO3,Si6O17·4H2O is a hydrated hydroxy mixed anion compound with both silicate and carbonate anions in the formula. The structural characterisation of the mineral whelanite remains incomplete. Whelanite is probably a neosilicate with Cu2+ in square planar coordination.Two Raman bands at 1070 and 1094cm−1 are assigned to the ν1 symmetric stretching modes of the CO32− units. The observation of two symmetric stretching modes supports the concept of two non-equivalent CO32− units in the whelanite structure. The intense sharp Raman band at 1006cm−1 is assigned to the ν1 (A1g) symmetric stretching vibration of the Si6O17 units. The splitting of the ν3 vibrational mode offers support to the concept that the SiO4 tetrahedron in whelanite is strongly distorted. A very intense Raman band observed at 666cm−1 with a shoulder at 697cm−1 is assigned to the ν4 vibrational modes. Intense Raman bands at 3534, 3556, 3550 and 3595cm−1 are assigned to the stretching vibrations of the OH units. Low intensity Raman bands at 2910, 3187 and 3453cm−1 are assigned to water stretching modes. Thus, vibrational spectroscopy has been used to characterise the molecular structure of whelanite.Whelanite is a mineral that could be conceived as a healing mineral.