Abstract
The crystal structure of a new high-pressure hydrous phase, Si-rich Mg-sursassite, of ideal composition Mg 4 Al 5 Si 7 O 23 (OH) 5 , that was produced by sub-solidus reaction at 24 GPa and 1400 °C in an experiment using a model sedimentary bulk composition, has been determined by single-crystal X‑ray diffraction. The phase was found to be topologically identical to Mg-sursassite, Mg 5 Al 5 Si 6 O 21 (OH) 7 , and has space group P 2 1 / m and lattice parameters a = 8.4222(7), b = 5.5812(3), c = 9.4055(9) Å, β = 106.793(8)°, V = 423.26(6) Å 3 , and Z = 1. The empirical formula determined by electron microprobe analysis of the same crystal as was used in the X‑ray experiment is [Mg 3.93(3) Fe 0.03(1) ] S3.96 [Al 4.98(3) Cr 0.04(1) ] S5.02 Si 7.02(4) O 23 (OH) 5 , with hydroxyl content implied by the crystal-structure analysis. The most significant aspect of the structure of Si-rich Mg-sursassite is the presence of octahedrally coordinated Si. Its structural formula is M1,VIIMg2 M2VIMg22+ M3,VI(Al0.5Si0.5)2 M4,VIAl2 M5,VIAl2T1,IVSi2 T2,IVSi2 T3,IVSi2 O23(OH)5.$^{M1,\text{VII}}M{{g}_{2}}{{\,}^{{{M}_{2}}\text{VI}}}\text{Mg}{{_{2}^{2+}}^{\,M3\text{,VI}}}{{\left( \text{A}{{\text{l}}_{\text{0}\text{.5}}}\text{S}{{\text{i}}_{\text{0}\text{.5}}} \right)}_{2}}{{\,}^{M4\text{,VI}}}\text{A}{{\text{l}}_{2}}{{\,}^{{{M}_{5}}\text{,VI}}}\text{A}{{\text{l}}_{2}}^{T1\text{,IV}}\text{S}{{\text{i}}_{\text{2}}}{{\,}^{T2\text{,IV}}}\text{S}{{\text{i}}_{2}}{{\,}^{T3\text{,IV}}}\text{S}{{\text{i}}_{2}}\,\,{{\text{O}}_{\text{23}}}{{\left( \text{OH} \right)}_{\text{5}}}.$Si-rich Mg-sursassite joins the group of hydrous ultrahigh-pressure phases with octahedrally coordinated Si that have been discovered by experiment, and that may play a significant role in the distribution and hosting of water in the deep mantle at subduction zones. The reactions defining the stability of Si-rich Mg-sursassite are unknown, but are likely to be fundamentally diferent from those of Mg-sursassite, and involve other ultrahigh-pressure dense structures such as phase D, rather than phase A.