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• Single crystal structure of a novel ultraviolet NLO tourmaline was solved. • Sellmeier equations were obtained by fitting the measured refractive indices. • Phase matching range of the title crystal is obtained from the Sellmeier equations. • The linear and NLO properties were investigated by the experimental and theory calculation. Transparent tourmaline NaAl 9 (BO 3) 3 Si 6 O 21 OH is first reported by combining experimental and theory calculation methods, which exhibits potential ultraviolet nonlinear optical properties. [Display omitted] Tourmaline, as an important mineral, has received intensive interest, since it is not only a valuable gemstone, but also is a piezoelectric or pyroelectric material, due to the polar structural configuration. However, its nonlinear optical (NLO) properties were not explored so far, because a transparent crystal with high transmittance is scarce, being essential to optical functional materials. Here, we report a novel ultraviolet (UV) NLO tourmaline crystal with chemical composition NaAl 9 (BO 3) 3 Si 6 O 21 OH for the first time by combining first-principles analysis and experimental measurements. It exhibits a short UV absorption edge, considerable second harmonic generation effect and moderate birefringence, thereby facilitating its phase-matching coherent beam output in the range from visible to UV regions. [ABSTRACT FROM AUTHOR]