School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 May;108:244-50. doi: 10.1016/j.saa.2013.02.007. Epub 2013 Feb 17.
Vibrational spectroscopy enables subtle details of the molecular structure of cyrilovite to be determined. Single crystals of a pure phase from a Brazilian pegmatite were used. Cyrilovite is the Fe(3+) member of the wardite group. The infrared and Raman spectroscopy were applied to compare the structure of cyrilovite with that of wardite. The Raman spectrum of cyrilovite in the 800-1400 cm(-1) spectral range shows two intense bands at 992 and 1055 cm(-1) assigned to the ν1PO4(3-) symmetric stretching vibrations. A series of low intensity bands at 1105, 1136, 1177 and 1184 cm(-1) are assigned to the ν3PO4(3-) antisymmetric stretching modes. The infrared spectrum of cyrilovite in the 500-1300 cm(-1) shows much greater complexity than the Raman spectrum. Strong infrared bands are found at 970 and 1007 cm(-1) and are attributed to the ν1PO4(3-) symmetric stretching mode. Raman bands are observed at 612 and 631 cm(-1) and are assigned to the ν4 out of plane bending modes of the PO4(3-) unit. In the 2600-3800 cm(-1) spectral range, intense Raman bands for cyrilovite are found at 3328 and 3452 cm(-1) with a broad shoulder at 3194 cm(-1) and are assigned to OH stretching vibrations. Sharp infrared bands are observed at 3485 and 3538 cm(-1). Raman spectroscopy complimented with infrared spectroscopy has enabled the structure of cyrilovite to be ascertained and compared with that of wardite.
振动光谱能够确定 Cyrilovite 分子结构的细微细节。使用了来自巴西伟晶岩的纯相单晶。Cyrilovite 是 Wardite 族的 Fe(3+)成员。红外和拉曼光谱被应用于比较 Cyrilovite 和 Wardite 的结构。Cyrilovite 的拉曼光谱在 800-1400cm(-1)光谱范围内显示出两个在 992 和 1055cm(-1)处的强带，归因于 ν1PO4(3-)对称伸缩振动。在 1105、1136、1177 和 1184cm(-1)处的一系列低强度带归因于 ν3PO4(3-)反对称伸缩模式。Cyrilovite 的红外光谱在 500-1300cm(-1)范围内比拉曼光谱显示出更大的复杂性。在 970 和 1007cm(-1)处发现了强的红外带，归因于 ν1PO4(3-)对称伸缩模式。在 612 和 631cm(-1)处观察到拉曼带，归因于 PO4(3-)单元的 ν4 面外弯曲模式。在 2600-3800cm(-1)光谱范围内，在 3328 和 3452cm(-1)处发现了 Cyrilovite 的强拉曼带，在 3194cm(-1)处有一个宽肩，归因于 OH 伸缩振动。在 3485 和 3538cm(-1)处观察到尖锐的红外带。拉曼光谱与红外光谱相结合，能够确定 Cyrilovite 的结构并与 Wardite 的结构进行比较。
