Calculated phase equilibria in K2O-FeO-MgO-Al2O3-SiO2-H2O for sapphirine-quartz-bearing mineral assemblages

Sapphirine, coexisting with quartz, is an indicator mineral for ultrahigh-temperature metamorphism in aluminous rock compositions. Here a new activity-composition model for sapphirine is combined with the internally consistent thermodynamic dataset used by THERMOCALC, for calculations primarily in K2O-FeO-MgO-Al2O3-SiO2-H2O (KFMASH). A discrepancy between published experimentally derived FMAS grids and our calculations is understood with reference to H2O. Published FMAS grids effectively represent constant a(H2O) sections, thereby limiting their detailed use for the interpretation of mineral reaction textures in compositions with differing H2O. For the calculated KFMASH univariant reaction grid, sapphirine + quartz assemblages occur at P-T in excess of 6-7 kbar and 1005degreesC. Sapphirine compositions and composition ranges are consistent with natural examples. However, as many univariant equilibria are typically not 'seen' by a specific bulk composition, the univariant reaction grid may reveal little about the detailed topology of multi-variant equilibria, and therefore is of limited use for interpreting the P-T evolution of mineral assemblages and reaction sequences. Calculated pseudosections, which quantify bulk composition and multi-variant equilibria, predict experimentally determined KFMASH mineral assemblages with consistent topology, and also indicate that sapphirine stabilizes at increasingly higher pressure and temperature as X-Mg increases. Although coexisting sapphirine and quartz can occur in relatively iron-rich rocks if the bulk chemistry is sufficiently aluminous, the P-T window of stability shrinks with decreasing X-Mg. An array of mineral assemblages and mineral reaction sequences from natural sapphirine + quartz and other rocks from Enderby Land, Antarctica, are reproducible with calculated pseudosections. That consistent phase diagram calculations involving sapphirine can be performed allows for a more thorough assessment of the metamorphic evolution of high-temperature granulite facies terranes than was previously possible. The establishment of a a-x model for sapphirine provides the basis for expansion to larger, more geologically realistic chemical systems (e.g. involving Fe3+).