Metamorphic diamonds hosted by major and accessory phases in ultrahigh-pressure (UHP) metamorphic terranes represent important indicators of deep subduction and exhumation of continental crust at convergent plate boundaries. However, their nucleation and growth mechanisms are not well understood due to their small size and diversity. The Bohemian microdiamond samples represent a unique occurrence of monocrystalline octahedral and polycrystalline cubo-octahedral microdiamonds in two different metasedimentary rock types. By combining new and published data on microdiamonds (morphology, resorption, associated phases, carbon isotope composition) with P–T constraints from their host rocks, we demonstrate that the peak P–T conditions for the diamond-bearing UHP rocks cluster along water activity-related phase transitions that determine the microdiamond features. With increasing temperature, the diamond-forming medium changes from aqueous fluid to hydrous melt, and diamond morphology evolves from cubo-octahedral to octahedral. The latter is restricted to the UHP-UHT rocks exceeding 1100 °C, which is above the incongruent melting of phengite, where microdiamonds nucleate along a prograde P–T path in silicate-carbonate hydrous melt. The observed effect of temperature on diamond morphology supports experimental data on diamond growth and can be used for examining growth conditions of cratonic diamonds from kimberlites, which are dominated by octahedra and their resorbed forms.