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Raman spectra and X-ray diffraction of tuite at various temperatures

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Abstract

High-temperature Raman spectra and thermal expansion of tuite, γ-Ca3(PO4)2, have been investigated. The effect of temperature on the Raman spectra of synthetic tuite was studied in the range from 80 to 973 K at atmospheric pressure. The Raman frequencies of all observed bands for tuite continuously decrease with increasing temperature. The quantitative analysis of temperature dependence of Raman bands indicates that the changes in Raman frequencies for stretching modes (ν3 and ν1) are faster than those for bending modes (ν4 and ν2) of PO4 in the present temperature range, which may be attributed to the structural evolution of PO4 tetrahedron in tuite at high temperature. The thermal expansion of tuite was examined by means of in situ X-ray diffraction measurements in the temperature range from 298 to 923 K. Unit cell parameters and volume were analyzed, and the thermal expansion coefficients were obtained as 3.67 (3), 1.18 (1), and 1.32 (3) × 10−5 K−1 for V, a, and c, respectively. Thermal expansion of tuite shows an axial anisotropy with a larger expansion coefficient along the c-axis. The isothermal and isobaric mode Grüneisen parameters and intrinsic anharmonicity of tuite have been calculated by using present high-temperature Raman spectra and thermal expansion coefficient combined with previous results of the isothermal bulk modulus and high-pressure Raman spectra.

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Acknowledgments

The X-ray diffraction measurements were conducted at the beamline 4B9A of BSRF with the technical support from Q. Cai. We are grateful to T. Gu and F. Zhu for the XRD experimental helps. We thank Professor M. Matsui for his editorial handling and comments. Critical comments and suggestion from two anonymous reviewers are helpful to improve the manuscript. This work was financially supported by the National Natural Science Foundation of China with Grant Nos. 40973045 and 41072027.

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Authors and Affiliations

  1. Key Laboratory of Orogenic Belts and Crustal Evolution, MOE; School of Earth and Space Sciences, Peking University, Beijing, 100871, China

    Shuangmeng Zhai, Weihong Xue & Xiang Wu

  2. Institute of Earth Sciences, Academia Sinica, Taipei, 115, Taiwan

    Chung-Cherng Lin

  3. Institute for Study of the Earth’s Interior, Okayama University, Misasa, Tottori, 682-0193, Japan

    Eiji Ito

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  1. Shuangmeng Zhai
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  2. Weihong Xue
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  4. Xiang Wu
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  5. Eiji Ito
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Correspondence to Shuangmeng Zhai.

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Zhai, S., Xue, W., Lin, CC. et al. Raman spectra and X-ray diffraction of tuite at various temperatures. Phys Chem Minerals 38, 639–646 (2011). https://doi.org/10.1007/s00269-011-0436-1

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