On the labyrinthine world of natural borates: H-bonding network in probertite, NaCaB5O7(OH)4 x 3H2O
Probertite, NaCaB5O7(OH)4x3H2O, is a complex hydrous borate mineral that is a common constituent of borate deposits. Despite the geochemical and industrial interest on this mineral (as source of B, it contains 50 wt%B2O3), only a few studies were devoted to it. Its structure was solved years ago (Rumanova et al. 1966, Menchetti et al. 1982), by single-crystal X-ray diffraction, and no more recent data are available. The aim of the present study is a reinvestigation of the crystal structure/chemistry of probertite by single-crystal neutron diffraction (20 K) and other tecniques, in order to provide: a) an unambiguous location of all the proton sites and the description of the complex H-bonding network expected in probertite structure, along its low-T induced rearrangement; b) the anisotropic displacement parameters of all the atomic sites, Hs included; c) a more robust description of B-coordination environment (e.g., aplanarity of the BO2(OH)-group, tetrahedral distortion of the BO3(OH)- and BO2(OH)2-groups); d) a description of the crystal chemistry of this mineral based on modern analytical protocol, with a particular attention to the potential B-, Ca- and Na-substituents.
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GATTA Giacomo Diego; Comboni Davide; FABELO ROSA Oscar Ramon and FERNANDEZ DIAZ Maria Teresa. (2021). On the labyrinthine world of natural borates: H-bonding network in probertite, NaCaB5O7(OH)4 x 3H2O. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-11-447
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