Ba21[BN2]11[C2]4: a subvalent compound with an excess electron – synthesis, crystal structure and Raman spectrum of an unprecedented alkaline-earth metal nitridoborate carbide†
Olaf Reckeweg
A * , Falk Lissner A , Jean-Louis Hoslauer A and Thomas Schleid A *
A Institut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
Australian Journal of Chemistry 75(9) 708-715 https://doi.org/10.1071/CH21310
Submitted: 30 November 2021 Accepted: 7 February 2022 Published: 17 May 2022
© 2022 The Author(s) (or their employer(s)). Published by CSIRO Publishing.
Abstract
Single crystals of Ba21[BN2]11[C2]4 were obtained by the reaction of barium metal, graphite and hexagonal boron nitride in silica-jacketed niobium capsules at 1030°C. They occur as shiny black, intergrown square platelets and adopt a new structure type crystallising in the tetragonal space group I4̄, exhibiting the cell parameters a = 1538.79(6) pm and c = 1007.36(4) pm (c/a = 0.655, Z = 2). The Raman spectrum was used to corroborate the nature of the anionic moieties: linear [BN2]3− and [C2]2− groups. They provide coordination spheres with seven to nine atoms from their respective termini for the Ba2+ cations. More structural features and the Raman data are discussed and compared with related compounds.
Keywords: acetylide anion [C2]2−, barium, niobium reactions containers, nitridoborate anion [BN2]3−, powder diffraction, Raman spectrum, single‐crystal diffraction, structure elucidation.
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