Phase transition and thermal expansion property of Cr2-xZr0.5xMg0.5xMo3O12 solid solution

doi:10.1088/1674-1056/23/6/066501

Abstract Compounds with the formula Cr_2-xZr_0.5xMg_0.5xMo₃O₁₂ (x = 0.0, 0.3, 0.5, 0.9, 1.3, 1.5, 1.7, 1.9) are synthesized, and the effects of Zr^{4 +} and Mg²⁺ co-incorporation on the phase transition, thermal expansion, and Raman mode are investigated. It is found that Cr_2-xZr_0.5xMg_0.5xMo₃O₁₂ crystallize into monoclinic structures for x ≤ 1.3 and orthorhombic structures for x ≥ 1.5 at room temperature. The phase transition temperature from a monoclinic to an orthorhombic structure of Cr₂Mo₃O₁₂ can be reduced by the partial substitution of (ZrMg)⁶⁺ for Cr³⁺. The overall linear thermal expansion coefficient decreases with the increase of the (ZrMg)⁶⁺ content in an orthorhombic structure sample. The co-incorporation of Zr^{4 +} and Mg²⁺ in the lattice results in the occurrence of new Raman modes and the hardening of the symmetric vibrational modes, which are attributed to the MoO₄ tetrahedra sharing corners with ZrO₆/MgO₆ octahedra and to the strengthening of Mo-O bonds due to less electronegativities of Zr⁴⁺ and Mg²⁺ than Cr³⁺, respectively.

Keywords: negative thermal expansion material phase transition Raman spectroscopy

Received: 10 October 2013
Revised: 27 December 2013
Accepted manuscript online:

PACS:	65.40.De	(Thermal expansion; thermomechanical effects)
	61.50.Ks	(Crystallographic aspects of phase transformations; pressure effects)
	78.30.-j	(Infrared and Raman spectra)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 10974183 and 11104252), the Science Fund of the Ministry of Education of China (Grant No. 20114101110003), the Fund for Science & Technology Innovation Team of Zhengzhou City, China (Grant No. 112PCXTD337), and the Postdoctoral Research Sponsorship in Henan Province, China (Grant No. 2011002).

Corresponding Authors: Liang Er-Jun
E-mail: ejliang@zzu.edu.cn

Cite this article:

Song Wen-Bo (宋文博), Wang Jun-Qiao (王俊俏), Li Zhi-Yuan (李志远), Liu Xian-Sheng (刘献省), Yuan Bao-He (袁保合), Liang Er-Jun (梁二军) Phase transition and thermal expansion property of Cr_2-xZr_0.5xMg_0.5xMo₃O₁₂ solid solution 2014 Chin. Phys. B 23 066501

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Phase transition and thermal expansion property of Cr2-xZr0.5xMg0.5xMo3O12 solid solution

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Phase transition and thermal expansion property of Cr_2-xZr_0.5xMg_0.5xMo₃O₁₂ solid solution