Neutron diffraction study of cyanate ligand order/disorder in AgNCO at 300-50 K

  • Williams D
  • Vogel S
  • Daemen L
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Abstract

The study of ordered/disordered cyanate ligands in AgNCO was carried out using the neutron powder diffractometers, high-pressure preferred orientation (HIPPO) and high-intensity powder diffractometer (HIPD), at LANSCE. Structural analysis was performed on AgNCO at five different temperatures (300, 200, 150, 100 and 50 K). AgNCO (No. 11, P21/m, a = 5.4742 (3) Å, b = 6.3784 (2) Å, c = 3.4170 (1) Åβ = 90.931 (5), vol.=119.298(8), density=4.173 g/cm3, and Z = 2) was found to have an ordered OCN ligand from 300 to 50 K. The bond lengths results from the analysis yielded Ag-N=2.1483(14) Å, C-N=1.1708(33) Å and C-O=1.1829(35) Å. © 2006 Elsevier B.V. All rights reserved.

Author-supplied keywords

  • AgNCO
  • Cyanate
  • Disorder
  • Neutron diffraction
  • Order

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Authors

  • D. J. Williams

  • S. C. Vogel

  • L. L. Daemen

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