Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa8[CN2]6O2(N0.5H0.5
)

Reckeweg, O.; Schulz, A.; DiSalvo, F. J.

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Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa₈[CN₂]₆O₂(N_0.5H_0.5)

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Reckeweg, O.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Schulz, A.
Miscellaneous, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Reckeweg, O., Schulz, A., & DiSalvo, F. J. (2013). Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa₈[CN₂]₆O₂(N_0.5H_0.5). Zeitschrift für Naturforschung B, 68(1), 39-43.

Cite as: https://hdl.handle.net/21.11116/0000-000E-C581-1

Abstract

Colorless, transparent single crystals of CaBa8[CN2](6)O-2(N0.5H0.5) (R (3) over bar (no. 148), a = 996.94(4) and c = 1803.18(8) pm, Z = 3) were obtained by the reaction of Ca3N2, Ba2N and NaHCN2 (of which one of the latter two most likely was contaminated with some oxygen impurity) in arc-welded Nb ampoules at 1200 K. The title compound consists of distorted (H/N)Ba-6 octahedra which share two of their opposite faces with OBa4 tetrahedra interconnected by [N=C=N](2-) units of Ca(N=C=N)(6) octahedra with C=N bond lengths of 121.9(6) and 124.3(6) pm and with a bond angle deviating from linearity with (N-C-N) = 175.9(5)degrees. A Raman spectrum obtained from the crystal used for the structure determination indicates the presence of the [N=C=N](2-) unit.