Li2Sr4Al2Ta2N8O,a Nitridoalumotantalate with BCT‐Zeolite Type Structure

Li₂Sr₄Al₂Ta₂N₈O was synthesized from Li₃AlN₂, Sr(NH₂)₂, LiN₃, and lithium metal as fluxing agent in weld shut tantalum crucibles. Single crystals were obtained as byproduct from reaction with the ampoule material. The crystal structure (P2₁/n (no. 14), a = 9.4081(19), b = 10.012(2), c = 5.9832(12) Å, β = 93.44(3)°, Z = 2) was solved on the basis of single‐crystal X‐ray diffraction data. Li₂Sr₄Al₂Ta₂N₈O is built up of vertex sharing AlN₄ and TaN₄ tetrahedra, forming a BCT‐zeolite type structure with Sr²⁺ ions and molecular Li₂O units incorporated into the voids. Lattice energy calculations (MAPLE) confirmed the electrostatic bonding interactions and the chemical composition.