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• W2093236442 abstract "These listings are available in microfiche. Order from the American Geophysical Union, 1707 L Street, N.W., Washington, D.C. 20036. Document J72-006; $1.00. Payment must accompany order.The crystal structure of high pigeonite has been determined from single-crystal intensity data taken on a pigeonite crystal (Wo9En39Fs52) from the Isle of Mull, Scotland, at 960°C (∼30°C above the low- to high-pigeonite transition for this composition). Anisotropic refinement in space group C2/c using 183 nonequivalent reflections resulted in an unweighted R of 0.035. Refinement in space group P21/c yielded positional and thermal parameters not significantly different from those consistent with C2/c symmetry. A difference Fourier calculated with the final coordinates of the C2/c refinement showed no anomalies indicative of a lower symmetry. (C2 or Cc). Analysis of the relative atomic displacements and the apparent rms thermal displacements provides evidence that the high-temperature polymorph is truly C-centered and not a space-average artefact. The structure of low pigeonite was anisotropically refined to an unweighted R factor of 0.057 using 1126 nonequivalent intensities collected at 24°C with the same crystal prior to the high-temperature experiment. Comparison of the low and high structures reveals two major structural changes: (1) extension of the B silicate chain with increasing temperature until it becomes crystallographically equivalent to the A chain at the transition (O3-O3′-O3” = 173.4°) and (2) a concomitant change in the primary coordination sphere of the M2 cation. The average bond length expansions of the SiO4 tetrahedron, the M1O6 octahedron, and the M2O8 polyhedron during the 24°–960°C temperature increase are 0.06, 1.2, and 1.4%, respectively; the average polyhedral volume expansions are 0.2, 3.5, and 5.9%, respectively. The apparent anisotropic rms atomic displacements at 960°C are approximately double those at 24°C. Refinement of Fe/Mg distributions in both the 24° and 960°C refinements resulted in KD values of 0.045 and 0.134, respectively. The temperature at which the Fe/Mg distribution equilibrated is roughly estimated to be ∼520°C. The fact that heat treament of Mull pigeonite at 940°C for 50 hours resulted in a decrease in class b peak diffusiveness relative to class a peaks suggests an increase in domain size." @default.
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• W2093236442 date "1972-10-10" @default.
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• W2093236442 title "A comparison of the structures of low and high pigeonite" @default.
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• W2093236442 doi "https://doi.org/10.1029/jb077i029p05778" @default.
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