title: Two cubic phases in kimzeyite garnet from the type locality Magnet Cove, Arkansas.
abstract: The crystal structure of an optically anisotropic kimzeyite garnet from Magnet Cove, Arkansas, USA, where it was first discovered, was refined with the Rietveld method, cubic space group, Ia\overline 3 d, and monochromatic [λ = 0.41422 (2) Å] synchrotron high-resolution powder X-ray diffraction (HRPXRD) data. The Rietveld refinement reduced χ2and overall R(F2) values are 1.840 and 0.0647, respectively. The sample, with the general garnet formula[8]X3[6]Y2[4]Z3[4]O12, contains an intergrowth of two cubic phases that occur initially as oscillatory growth zoning, and patchy intergrowths arise later from fluid-enhanced dissolution and re-precipitation. The two compositions obtained with electron-probe microanalyses (EPMA) are Ca3.00(Zr1.31Ti4+0.46Fe3+0.22Mn3+0.01)∑2[Al0.76Fe3+1.01Si1.23]∑3O12for phase 1a and Ca2.99(Zr1.48Ti4+0.37Fe3+0.15)∑2[Al0.87Fe3+0.98Si1.15]∑3O12for phase 1b. The weight percentage, unit-cell parameter (Å), distances (Å), and site occupancy factors (s.o.f.s) for phase 1a are as follows: 42.6 (2)%, a = 12.46553 (3) Å, average 〈X-O〉 = 2.482, Y-O = 2.059 (2), Z-O = 1.761 (2) Å, Ca (X s.o.f.) = 0.960 (4), Zr (Y s.o.f.) = 0.809 (3), and Fe (Z s.o.f.) = 0.623 (2). The corresponding values for phase 1b are 57.4 (2)%, a = 12.47691 (2) Å, average 〈X-O〉 = 2.482, Y-O = 2.062 (1), Z-O = 1.762 (1) Å, Ca (X s.o.f.) = 0.957 (3), Zr (Y s.o.f.) = 0.828 (2) and Fe (Z s.o.f.) = 0.617 (2). The main structural differences between the two phases are in the unit-cell parameter, Δa = 0.01138 Å, Y(s.o.f.), and Y-O distance. Structural mismatch between the two cubic phases in a crystal gives rise to strain-induced optical anisotropy.
authors.affiliation: Department of Geoscience, University of Calgary, Calgary, Alberta T2N 1N4, Canada.
authors.forename: Sytle M
authors.initials: SM
authors.lastname: Antao
authors.affiliation: Department of Geoscience, University of Calgary, Calgary, Alberta T2N 1N4, Canada.
authors.forename: Laura A
authors.initials: LA
authors.lastname: Cruickshank
keywords: Rietveld refinements; andradite; garnet; kimzeyite; optical anisotropy; synchrotron high-resolution powder X-ray diffraction; two-phase intergrowth