Structural patterns and dimensionality in magnesium borophosphates: the crystal structures of Mg2(H2O)[BP3O9(OH)4] and Mg(H2O)2[B2P2O8(OH)2]·H2O

Abstract

Hydrothermal investigations in the system MgO/B2O3/P2O5(/H2O) yielded two new magnesium borophosphates, Mg2(H2O)[BP3O9(OH)4] and Mg(H2O)2[B2P2O8(OH)2]·H2O. The crystal structures were solved by means of single crystal X-ray diffraction. While the acentric crystal structure of Mg2(H2O)[BP3O9(OH)4] (orthorhombic, P212121 (No. 19), a = 709.44(5) pm, b = 859.70(4) pm, c = 1635.1(1) pm, V = 997.3(3) × 106 pm3, Z = 4) contains 1D infinite chains of magnesium coordination octahedra interconnected by a borophosphate tetramer, Mg(H2O)2[B2P2O8(OH)2]·H2O (monoclinic, P21/c (No. 14), a = 776.04(5) pm, b = 1464.26(9) pm, c = 824.10(4) pm, β = 90.25(1)°, V = 936.44(9) × 106 pm3,Z = 4) represents the first layered borophosphate with 63 net topology. The structures are discussed and classified in terms of structural systematics.