Atomic-scale deformation mechanisms at high-pressure in inderborite, CaMg[B3O3(OH)5]2(H2O)4⋅2H2O.

The high-pressure behaviour of inderborite [ideally CaMg[B3O3(OH)5]2(H2O)4⋅2H2O, space group C 2/ c with a ≈ 12.14, b ≈ 7.43, c ≈ 19.23 Å and β ≈ 90.3° at room conditions] has been studied by two in situ single-crystal synchrotron X-ray diffraction experiments up to ~10 GPa, using He as pressure-transmitting fluid. Between 8.11(5) and 8.80(5) GPa, inderborite undergoes a first-order phase transition to its high-pressure polymorph, inderborite-II (with a ≈ 11.37, b ≈ 6.96, c ≈ 17.67 Å, β ≈ 96.8° and ΔV ≈ 7.0%, space group unknown). The isothermal bulk modulus (KV0 = β−1P0,T0, where β P0,T0 is the volume compressibility coefficient) of inderborite was found to be KV0 = 41(1) GPa. The destructive nature of the phase transition prevented any structure resolution of inderborite-II or even the continuation of the experiments at pressures higher than 10.10(5) GPa. In the pressure range 0–8.11(5) GPa, the compressional anisotropy of inderborite, indicated by the ratio between the principal components of the Eulerian finite unit-strain ellipsoid, is ɛ1:ɛ2:ɛ3 = 1.4:1.05:1. The deformation mechanisms at the atomic scale in inderborite are here described. Our findings support the hypothesis of a quasi-linear correlation between the total H2O content and P -stability range in hydrated borates, as the pressure at which inderborite undergoes the phase transition falls in line with most of the hydrate borates studied at high-pressure so far. [ABSTRACT FROM AUTHOR]