Inorganic Chemistry, Vol.56, No.19, 11451-11454, 2017
Structural Design of Two Fluorine-Beryllium Borates BaMBe2(BO3)(2)F-2 (M = Mg, Ca) Containing Flexible Two-Dimensional [Be3B3O6F3], Single Layers without Structural Instability Problems
Molecular structural design is a compelling strategy to develop new compounds and optimize the crystal structure by atomic-scale manipulation. Herein, two fluorine beryllium borates, BaMgBe2(BO3)(2)F-2 and BaCaBe2(BO3)(2)F-2, have been rationally designed to overcome the structural instability problems of Sr2Be2B2O7 (SBBO). When relatively large Ba atoms were introduced, the [Be6B6O15](infinity) double layers of SBBO were successfully broken, generating flexible [Be3B3O6F3]infinity single layers. Also, the strategy adopted in this work has many implications in understanding the structural chemistry and designing novel optical functional materials in a beryllium borate system.