Premium
Crystal Structure and Hydrate Water Content of Synthetic Hellyerite, NiCO 3 ·5.5H 2 O
Author(s) -
Bette Sebastian,
Rincke Christine,
Dinnebier Robert E.,
Voigt Wolfgang
Publication year - 2016
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201600044
Subject(s) - monoclinic crystal system , crystallography , hydrate , crystal structure , raman spectroscopy , octahedron , aqueous solution , powder diffraction , molecule , rietveld refinement , materials science , crystal (programming language) , x ray crystallography , scanning electron microscope , chemistry , diffraction , physics , optics , programming language , organic chemistry , computer science , composite material
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 Ni 2 (CO 3 ) 2 (H 2 O) 8 octahedra and non‐coordinating water molecules. According to structure solution and thermal analysis the molecular formula of hellyerite was corrected from NiCO 3 · 6H 2 O to NiCO 3 · 5.5H 2 O. The title compound was characterized by scanning electron microscopy, IR‐, Raman‐, and UV/Vis spectroscopy.