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Structure, Phase Transition, and Controllable Thermal Expansion Behaviors of Sc2-xFexMo3O12



Meimei Wu, Xinzhi Liu, Dongfeng Chen, Qingzhen Huang, Hui Wu, Yuntao Liu


The crystal structures, phase transition and thermal expansion behaviors of solid solutions Sc2-xFexMo3O12(0less than or equal to}xless than or equal to}2) have been examined using X-ray diffraction (XRD), neutron powder diffraction (NPD) and differential scanning calorimetry (DSC). At room temperature, samples crystallize in a single orthorhombic structure for the compositions of x < 0.6 and monoclinic for x ≥ 0.6, respectively. DSC results indicate that the phase transition temperature from monoclinic to orthorhombic structure is enhanced by increasing the Fe3+ content. High temperature XRD and NPD results show that Sc1.3Fe0.7Mo3O12 exhibits near zero thermal expansion, and the volumetric coefficient of thermal expansion derived from XRD and NPD are 0.28x10-6 °C-1 (250-800 °C) and 0.65x10-6 °C-1 (227-427 °C), respectively. NPD results of Sc2Mo3O12 (x=0) and Sc1.3Fe0.7Mo3O12 (x=0.7) indicate that Fe substitution for Sc induces reduction of the mean Sc(fe)-Mo non-bond distance and the different thermal variations of Sc(Fe)-O5-Mo2 and Sc(Fe)-O3-Mo2 bond angles. The correlation between the displacements of oxygen atoms and the variation of unit cell parameters was investigated in details for Sc2Mo3O12O12 and Sc1.3Fe0.7Mo3O12.
Inorganic Chemistry


X-ray diffraction, Neutron powder diffraction, Thermal expansion, Molybdates


Wu, M. , Liu, X. , Chen, D. , Huang, Q. , Wu, H. and Liu, Y. (2014), Structure, Phase Transition, and Controllable Thermal Expansion Behaviors of Sc<sub>2-x</sub>Fe<sub>x</sub>Mo<sub>3</sub>O<sub>12</sub>, Inorganic Chemistry, [online], (Accessed July 19, 2024)


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Created September 1, 2014, Updated October 12, 2021