A novel approach to the structural distortions of U/Th snub-disphenoids and their control on zircon → reidite type phase transitions of U1−xThxSiO4

• Published in: Journal of physics. Condensed matter 2020-04
• Main Authors: Mondal, SK, Das, Pratik Kumar, Mandal, N, Arya, A
• Format: Article
• Language: eng ; nor
• ISSN: 0953-8984; 1361-648X
• DOI: 10.1088/1361-648X/ab60e4

Coffinite (USiO4) and thorite (ThSiO4) are conspicuous radiogenic silicates in the geonomy. They form U1−xThxSiO4 (uranothorite) solid solutions in zircon-type phase. Investigating the phase-evolution of these minerals is of utmost significance in realizing their applicability in the front-as well as at the back-end of nuclear industries. We carried out a systematic study of zircon- to reidite-type (tetragonal I41/amd to I41/a) structural transitions of U1−xThxSiO4 solid solution, and investigated their mechanical behaviour. We found a unique behaviour of transition pressure with the change in U-Th concentration in the solid solution. The phase transition pressure (p t) is found to be minimum for x  =  0.5. We develop the necessary formalism and present an efficient method to estimate the longitudinal and angular distortions of U/ThO8-triangular dodecahedra (snub-disphenoids). We have parameterized two new factors: δ (longitudinal distortions) and σ2 (angular distortions) to quantify the polyhedral distortions. A detailed analysis of U/ThO8 snub-disphenoidal distortions is presented to address such variation of p t with U and Th concentration. We argue that our approach is independent of polyhedral volume and can be used for any AB8 (A: cation, B: anion) type snub-disphenoidal system.