title: Vibrational spectroscopy of the borate mineral pinnoite MgB2O(OH)6.
abstract: There is a large number of boron containing minerals with water and/or hydroxyl units of which pinnoite MgB2O(OH)6 is one. Some discussion about the molecular structure of pinnoite exists in the literature. Whether water is involved in the structure is ill-determined. The molecular structure of pinnoite has been assessed by the combination of Raman and infrared spectroscopy. The Raman spectrum is characterized by an intense band at 900 cm(-1) assigned to the BO stretching vibrational mode. A series of bands in the 1000-1320 cm(-1) spectral range are attributed to BO antisymmetric stretching modes and in-plane bending modes. The infrared spectrum shows complexity in this spectral range. Multiple Raman OH stretching vibrations are found at 3179, 3399, 3554 and 3579 cm(-1). The infrared spectrum shows a series of overlapping bands with bands identified at 3123, 3202, 3299, 3414, 3513 and 3594 cm(-1). By using a Libowitzky type function, hydrogen bond distances were calculated. Two types of hydrogen bonds were identified based upon the hydrogen bond distance. It is important to understand the structure of pinnoite in order to form nanomaterials based upon the pinnoite structure.
authors.affiliation: School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia. Electronic address: r.frost@qut.edu.au.
authors.forename: Ray L
authors.initials: RL
authors.lastname: Frost
authors.forename: Yunfei
authors.initials: Y
authors.lastname: Xi
mesh_terms: D001896:Boron Compounds / Q000737:chemistry*; D006860:Hydrogen Bonding; D006878:Hydroxides / Q000737:chemistry*; D008277:Magnesium Oxide / Q000737:chemistry*; D008903:Minerals / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration; D014867:Water
chemical_list: D001896:Boron Compounds; D006878:Hydroxides; D008903:Minerals; D014867:Water; D008277:Magnesium Oxide; C042168:boron oxide
keywords: Borate; Infrared spectroscopy; Pinakiolite; Pinnoite; Raman spectroscopy; Szaibelyite