文摘
Vibrational spectroscopy enables subtle details of the molecular structure of whiteite to be determined. Single crystals of a pure phase from a Brazilian pegmatite were used. The infrared and Raman spectroscopy were applied to compare the molecular structure of whiteite with that of other phosphate minerals. The Raman spectrum of whiteite shows an intense band at 972 cm鈭? assigned to the 谓1 symmetric stretching vibrations. The low intensity Raman bands at 1076 and 1173 cm鈭? are assigned to the 谓3 antisymmetric stretching modes. The Raman bands at 1266, 1334 and 1368 cm鈭? are assigned to AlOH deformation modes. The infrared band at 967 cm鈭? is ascribed to the 谓1 symmetric stretching vibrational mode. The infrared bands at 1024, 1072, 1089 and 1126 cm鈭? are attributed to the 谓3 antisymmetric stretching vibrations. Raman bands at 553, 571 and 586 cm鈭? are assigned to the 谓4 out of plane bending modes of the unit. Raman bands at 432, 457, 479 and 500 cm鈭? are attributed to the 谓2 PO4 and H2PO4 bending modes. In the 2600 to 3800 cm鈭? spectral range, Raman bands for whiteite are found 3426, 3496 and 3552 cm鈭? are assigned to AlOH stretching vibrations. Broad infrared bands are also found at 3186 cm鈭?. Raman bands at 2939 and 3220 cm鈭? are assigned to water stretching vibrations. Raman spectroscopy complimented with infrared spectroscopy has enabled aspects of the structure of whiteite to be ascertained and compared with that of other phosphate minerals.