Abstract
Structure-chemical formulae not only show the relative proportions of the various atoms in the composition of a mineral but also give information concerning its crystal structure. Many systems of notation have been devised, giving greater or lesser structural detail, including those by Hey (1950), Povarennykh (1972), Strunz (1982), and more recently Lima-de-Faria et al. (1990), the latter being recommended by a subcommittee of the International Union of Crystallography. The notation recommended would give for example, for pyrite: Fe[60]{g} [S2 [3;1]t], indicating Fe in sixfold octahedral coordination by sulfur and S tetrahedrally coordinated by 3Fe and 1S, and for Mg, Al spinel: [Mg[4t]Al2 [60]O4 [1,3;12CO]], indicating Mg in fourfold tetrahedral and Al in sixfold octahedral coordination, O with one Mg and 3A1 neighbors and selfcoordinated by a cubo-octahedron of oxygens. Lima-de-Faria et al. also give the so-called Bauverband description indicating structure types by a lattice-complex notation.
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Bulakh, A.G., Zussman, J., Mann, C.J., Ryakhovsky, V.M. (1994). Treatment of Chemical Composition Data for Minerals. In: Marfunin, A.S. (eds) Advanced Mineralogy. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-78523-8_2
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