Abstract
The space group and hydrogen positions of δ-(Al0.84Mg0.07Si0.09)OOH are investigated using a single crystal synthesized using a multi-anvil apparatus under conditions of 1000 °C and 21 GPa. The space group determined by single-crystal X-ray diffraction is to Pnn2, with unit-cell parameters of a=4.6975(8) A, b= 4.2060(6) A, c=2.8327(4) A, and V=55.97(1) A3. Partial occupancy of the Al site by Mg and Si suggests the possibility of a limited solid solution between δ-AlOOH, stishovite, and a hypothetical CaCl2-type Mg(OH)2 that is 16% denser than brucite. Difference-Fourier maps reveal two small but significant Fourier peaks attributable to hydrogen atoms. Atomic distances and angles around the first peak indicate a hydrogen bond with O···O distances of 2.511 A, while those around the second peak are suggestive of a bifurcated hydrogen bond with O···O distances of 2.743 and 2.743 A.
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