Volume Increments for Crystalline Borates

Abstract A set of volume increments for ionic oxido‐borates is developed trigonal‐planar and tetrahedral coordinated boron fragments in densely packed crystal structures. For this purpose, the cell 277 alkaline‐ earth alkaline borate structures was analyzed with respect to different anionic building units. The help determine number formula equivalents a which especially useful structure solution process starting from powder diffraction data. This demonstrated on new methylammonium borate, [H 3 CNH ]B 5 O 6 (OH) 4 ⋅ CH NHCOH could be solved X‐ray compound crystallizes monoclinic space group P 1 2 /c lattice parameters =7.3040(1) Å, b =11.6377(1) c =17.1065(3) β =107.2167(9)° Z =4. model supported as well by H, 11 B, 13 C 15 N solid‐state NMR quantum chemical calculations.