Local Structure, Structural, Vibrational, and Optical Properties of Natural Zircon

Abstract

Structural properties of Indian metamict single zircon crystals are studied by comparing their properties with those of synthetic zircon synthesized via solid‐state reaction method, which serves as the standard. X‐Ray diffraction (XRD) data reveal changes in lattice parameters and the presence of strain, metamictization, etc. It is found that the degree of crystallinity is ≈63.8% indicating the simultaneous presence of crystalline and disordered regions. These changes are likely due to the presence of several radioactive/nonradioactive elements. The presence of such elements is observed and the sample composition is analyzed through total reflection X‐Ray fluorescence. XRD crystallographic data are further utilized as input for analyzing X‐Ray absorption spectroscopy data recorded around Zr central absorbing atom. X‐Ray absorption near‐edge structure shows slight modification in the white line feature and some disorder compared to the synthetic one. Reduced coordination number observed from extended X‐Ray absorption fine structure suggests the presence of disorder in local structure. Micro‐Raman spectroscopy indicates that crystalline behavior varies across different locations, suggesting that the sample has undergone varying degrees of metamictization, confirming a nonuniform distribution of elements. The work documents and analyses structural evolution within isolated silica tetrahedron network in association of Zr4+ cation as a function of self‐irradiation and recovery over millions of years and correlating the same with optical properties.