Raman spectroscopic and X-ray diffraction study of alpha- and beta-Mg2P2O7 at various temperatures----上海高等研究院

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Raman spectroscopic and X-ray diffraction study of alpha- and beta-Mg2P2O7 at various temperatures

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论文题目: Raman spectroscopic and X-ray diffraction study of alpha- and beta-Mg2P2O7 at various temperatures
作者: Xue, Weihong; Zhai, Kuan; Wang, Hu; Wu, Xiang; Wen, Wen; Zhai, Shuangmeng
刊名: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
出版年: 2022 卷: 273 文献号: 1386-1425
关键词:
Xue, Weihong; Zhai, Kuan; Wang, Hu; Wu, Xiang; Wen, Wen; Zhai, Shuangmeng
摘要:
Raman spectra and X-ray diffraction patterns of Mg2P2O7 polymorphs (alpha- and beta-phase) were investigated at various temperatures up to 1073 K at ambient pressure. Typical Raman spectra and X-ray diffraction patterns were observed for the reversible phase transition between low-temperature alpha-Mg2P2O7 and high- temperature beta-Mg2P2O7 during heating and cooling. The effect of temperature on the Raman vibrations for the two Mg2P2O7 polymorphs was quantitatively analyzed. All the observed Raman active bands of the two Mg2P2O7 polymorphs showed linear temperature dependence with different slopes. The quantitative temperature dependences of the Raman bands are -4.01 x 10(-2) similar to 1.94 x 10(-2) and -2.31 x 10(-2) similar to -0.44 x 10(-2) cm(-1) K-1 for alpha- and beta-Mg2P2O7, respectively. The force constant evolution of [P2O7](4-) stretching vibrations and the temperature derivatives for both alpha- and beta-Mg2P2O7 were also determined. The thermal expansion coefficient of beta-Mg2P2O7 was estimated at 2.97(8) x 10(-5) K-1. Hence the isobaric mode Gruneisen parameters of beta-Mg2P2O7 were calculated. (C) 2022 Elsevier B.V. All rights reserved.

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中国科学院上海高等研究院