Crystal structure of synthetic Mg3Cr2Si3O12, the high-pressure Cr end-member of the knorringite-pyrope garnet series

TL;DR

This study determines the crystal structure of synthetic Mg3Cr2Si3O12, a high-pressure Cr-end-member garnet, using synchrotron X-ray diffraction, confirming pressure-induced structural changes predicted by earlier empirical models.

Contribution

The paper provides the first experimental crystal structure of the synthetic Mg3Cr2Si3O12 garnet, validating pressure-related structural predictions for Cr-garnet end-members.

Findings

Cr-O distance of 1.957 Å indicates substantial compression.

Structure is cubic, space group Ia-3d, with specific lattice parameters.

Results confirm pressure-dependent decrease in Cr-O distance and Cr-O-Si angle.

Abstract

Knorringite, the Cr-end-member of the pyrope garnet series (Nixon et al. 1968), often occur in high proportions in kimberlite garnets and is thus used for tracing high-pressure deep-earth conditions favorable to the formation of diamonds, in which knorringite-rich garnet can occur as inclusions. However, although the synthesis of knorringite is reported in the literature (Ringwood 1977; Irifune et al. 1982; Taran et al. 2004), the structure of the pure end-member has not been yet determined from experimental data. In this study, the crystal structure of knorringite, Mg3Cr2(SiO4)3, has been refined from high resolution synchrotron X-ray powder diffraction data recorded under ambient conditions on a polycrystalline sample synthesized at 12 GPa in a multi-anvil apparatus. The structure is cubic, space group Ia-3d, a = 11.5935(1), V = 1558.27(4) {\AA}3, dcalc = 3.97 g.cm-3. The Cr-O distance of 1.957(2) {\AA} is consistent with EXAFS results on the same sample. This short distance indicates a substantial compression of the CrO6 octahedron, compared to ambient pressure Cr3+-minerals such as uvarovite (<Cr-O> = 1.99 {\AA}, Andrut and Wildner 2002). Our experimental results thus confirm early empirical predictions based on series of high-pressure Cr-garnet end-members (Fursenko 1981), showing that the values of the Cr-O distance and the Cr-O-Si angle decrease with the augmentation of pressure and with the diminution of the size of the divalent cation.