Synthesis and Ab Initio Structure Determination of Zn4O(BO3)2, a Microporous Zincoborate Built Up From 'Fused' 3-Ring and 5-Ring Sub-Units.

摘要

The synthesis and structure of Zn4O(BO3)2, a new, neutral-framework, microporous zincoborate are reported. The crystal structure of Zn4O(BO3)2 has been solved ab initio from laboratory X-ray powder diffraction data, and consists of a network of vertex-sharing tetrahedral ZnO4 and triangular B03 moieties enclosing interlinked, 'cigar'-shaped cages and a three-dimensional network of intersecting channels (minimum diameter approx. 3.5 A). The 'fused' 3-ring/5-ring connectivity of the Zn/B/O framework is novel. Crystal data: Zn4O(BO3)2, M sub r = 384.37, rhombohedral, space group R3c (No. 167), a = 9.9115 (4) A, alpha = 48.602 (1) deg, V = 502.61 A sup 3, Z = 3, R sub p = 10.9%, R sub wp = 14.2% for 4198 powder data (Cu K alpha radiation, lambda = 1.54178 A).