Organisms’ size and shape have a profound influence on ecophysiological performance and evolutionary fitness, suggesting a link between morphology and diversity. While unimodal relationships between size and species richness were found for many taxa(1–4), much less is known on how richness is related to shape, in particular in the microbial realm. Here we analyse a novel globally extensive data set of marine unicellular phytoplankton, the major group of photosynthetic microbes, which exhibit an astounding diversity of cell sizes and shapes(5). We quantify the variation in size and shape and explore their effects on taxonomic diversity(6, 7). We find that cells of intermediate volume exhibit the greatest shape variation, with shapes ranging from oblate to extremely elongated forms, while very small and large cells are mostly compact (e.g., spherical or cubic). We show that cell shape has a strong effect on phytoplankton diversity, comparable in magnitude to the effect of cell volume, with both traits explaining up to 92% of the variance in phytoplankton diversity. Species richness decays exponentially with cell elongation and displays a log-normal dependence on cell volume, peaking for compact cells of intermediate volume. Our findings highlight different selective pressures and constraints on phytoplankton of different geometry and improve our understanding of the evolutionary rules of life.