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Keywords:

  • Crystal structure;
  • Hydrocyanamides;
  • Neutron diffraction;
  • Transition metals

Abstract

The crystal structures of Fe(NCNH)2 and Co(NCNH)2, isotypical with Ni(NCNH)2, have been refined by means of combined X-ray and neutron powder diffraction data (SPODI, FRM II). The lattice parameters are a = 6.6655(7), b = 8.7923(8), c = 3.3304(3) Å for Fe(NCNH)2 and a = 6.5696(2), b = 8.8058(2), c = 3.2622(1) Å for Co(NCNH)2 in the orthorhombic system Pnmm (no. 58). The positions of the hydrogen atoms have been clearly resolved.