On the complex H-bonding scheme in inderborite, CaMg[B3O3(OH)5]2·6H2O
Inderborite, CaMg[B3O3(OH)5]2 x 6H2O, is a complex hydrous borate mineral. Despite the geochemical and industrial interest on this mineral (as source of B, it contains 41 wt% B2O3), only a few studies were devoted to it. Its structure was solved years ago 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 inderborite by single-crystal neutron diffraction (20 K) and other techniques, in order to provide: a) an unambiguous location of all the proton sites and the description of the complex H-bonding network expected in its structure, alongside its low-T induced rearrangement; b) the anisotropic displacement parameters of all the atomic sites, including the H-sites; c) a robust description of the B-coordination environment (e.g. aplanarity of the BO3-group, distortion of the BO4-tetrahedra); d) a description of the crystal chemistry of this mineral based on modern analytical protocols, with attention to the potential B- and Mg-Ca-substituents. These data are pivotal for a full description of the pressure- and temperature-behaviour of inderborite at the atomic scale.
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GATTA Giacomo Diego; Comboni Davide and FABELO ROSA Oscar Ramon. (2023). On the complex H-bonding scheme in inderborite, CaMg[B3O3(OH)5]2·6H2O. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.DIR-264
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