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  • 1
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    Mineralogical Society of America
    Publication Date: 2016-05-03
    Description: This decade marks the centenary of the discovery of X-ray diffraction. The development of mineralogy as a scientific discipline in which the properties of minerals are understood in terms of their atomic-scale structures has paralleled the development of diffraction crystallography. As diffraction crystallography revealed more precise details of mineral structures, more subtle questions about mineral properties could be addressed and a deeper understanding of the relationship between the two could be attained. We review the developments in X-ray single-crystal diffraction crystallography over the last century and show how its power to provide fundamental information about the structures of minerals has evolved with the improvements in data quality and the increased technological capacity to handle the data. We show that modern laboratory X-ray diffraction data are of the quality such that mineralogical results are no longer limited by the data quality, but by the physical validity of the refinement models used to interpret the data.
    Print ISSN: 0003-004X
    Electronic ISSN: 1945-3027
    Topics: Geosciences
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  • 2
    Publication Date: 2011-01-18
    Description: The volumes of a disordered An20 (Qod = 0.15), a disordered An78 (Qod = 0.55) and an ordered An78 (Qod = 0.81) were determined up to 9.569(10) GPa, 8.693(5) GPa and 9.765(10) GPa, respectively, using single-crystal X-ray diffraction. The volume variations with pressure for these samples are described with 4th-order Birch Murnaghan equations of state with V0 = 669.88(7) A3, K0 = 59.7(7) GPa, K' = 5.7(5), K'' = -0.8(2) GPa-1 for disordered An20, V0 = 1340.48(10) A3, K0 = 77.6(5) GPa, K0' = 4.0(3), K'' = -0.59(9) GPa-1 for disordered An78 and V0 = 1339.62(6) A3, K0 = 77.4(6) GPa, K' = 4.2(4), and K'' = -0.7(1) GPa-1 for ordered An78. Along with data from previous studies (An0 ordered, An0 disordered and An20 ordered), the volumes for the disordered samples were found to be up to [~]0.3% larger than the ordered samples of the same composition. The disordered samples are softer than the ordered samples of the same composition by 4(1)% for An0, 2.5(9)% for An20 and essentially zero for An78. The relationship between volume increase, density decrease, and decreasing bulk modulus with increasing disorder is in accordance with Birch's Law.
    Print ISSN: 0026-461X
    Electronic ISSN: 1471-8022
    Topics: Geosciences
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