Synthesis, crystal structure and thermal behavior of Sr 3B 2SiO 8 borosilicate

Abstract

Single crystals of Sr 3B 2SiO 8 were obtained by solid-state reaction of stoichiometric mixture at 1200 °C. The crystal structure of the compound has been solved by direct methods and refined to R1=0.064 ( wR=0.133). It is orthorhombic, Pnma, a=12.361(4), b=3.927(1), c=5.419(1) Å, V=263.05(11) Å 3. The structure contains zigzag pseudo-chains running along the b axis and built up from corner sharing (Si,B)−O polyhedra. Boron and silicon are statistically distributed over one site with their coordination strongly disordered. Sr atoms are located between the chains providing three-dimensional linkage of the structure. The formation of Sr 3B 2SiO 8 has been studied using annealing series in air at 900–1200 °C. According powder XRD, the probe contains pure Sr 3B 2SiO 8 over 1100 °C. The compound is not stable below 900 °C. In the pseudobinary Sr 2B 2O 5–Sr 3B 2SiO 8 system a new series of solid solutions Sr 3− x B 2Si 1− x O 8−3 x ( x=0–0.9) have been crystallized from melt. The thermal behavior of Sr 3B 2SiO 8 was investigated using powder high-temperature X-ray diffraction (HTXRD) in the temperature range 20–900 °C. The anisotropic character of thermal expansion has been observed: α a = −1.3, α b =23.5, α c =13.9, and α V =36.1×10 −6 °C −1 (25 °C); α a = −1.3, α b =23.2, α c =5.2, and α V =27.1×10 −6 °C −1 (650 °C). Maximal thermal expansion of the structure along of the chain direction [0 1 0] is caused by the partial straightening of chain zigzag. Hinge mechanism of thermal expansion is discussed.