Syntheses, Single-crystal Structure and Vibrational Spectra of Ca₁₅(CBN)₆(C₂)₂H₂

Abstract

Single crystals of Ca 15 (CBN) 6 (C 2 ) 2 H 2 were obtained either by the reaction of stoichiometric amounts of graphite, hexagonal BN, and CaH 2 with an excess of distilled Ca, or by using graphite, boron powder, Ca 3 N 2 , and CaH 2 with an excess of distilled Ca. Both reactions took place in silicajacketed Ta ampoules at 1400 K. Crystals of the title compound are transparent dark-red and isopointal to Ca 15 (CBN) 6 (C 2 ) 2 O adopting the cubic space group Ia3d (no. 230, Z = 8) with the cell parameter a = 1653.30(17) pm. The vibrational spectra were recorded and are compared with IR and Raman data of isotypic compounds.