Crystal Structure and Hydrate Water Content of Synthetic Hellyerite, NiCO3·5.5H2O1. Issue 9 (13th May 2016)

• Record Type: Journal Article
• Authors: Bette, Sebastian; Rincke, Christine; Dinnebier, Robert E.; Voigt, Wolfgang
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 642:Issue 9/10(2016)
• Page Start: 652
• Page End: 659
• Publication Date: 2016-05-13
• Subjects: Nickel carbonate hydrate -- Hellyerite -- Structure elucidation -- X‐ray diffraction -- IR spectroscopy; Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.201600044
• Languages: English
• ISSNs: 0044-2313

Abstract

Abstract: A sample of pure, artificial hellyerite was synthesized in aqueous solution at 0 °C. The recorded X‐ray diffraction pattern completely agrees with the reference data given for natural hellyerite. Laboratory high resolution X‐ray powder diffraction, applying global optimization methods and Rietveld refinement, was employed to solve the crystal structure. Synthetic hellyerite was determined to crystallize in the primitive monoclinic space group P 2/ m (no. 10) with a = 10.769(2) Å, b = 7.295(2) Å, c = 9.343(2) Å, and β = 94.042(2)°. The crystal structure consists of edge‐linked, isolated pairs of Ni2 (CO3 )2 (H2 O)8 octahedra and non‐coordinating water molecules. According to structure solution and thermal analysis the molecular formula of hellyerite was corrected from NiCO3 · 6H2 O to NiCO3 · 5.5H2 O. The title compound was characterized by scanning electron microscopy, IR‐, Raman‐, and UV/Vis spectroscopy. Abstract :