Structures of Prismatic and Pyramidal Surfaces of Quartz
The structure of natural growth surfaces of Quartz (10-11) and (10-10)-water interfaces were measured with high resolution X-ray reflectivity. Key observations of this work include:
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The (10-11) growth surface is terminated by a complete SiO2 layer with a non-bridging oxygen.
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A surface hydration layer is 1.6 Å above the NBO of the surface silicon, with ~1.8 ± 0.15 water per unit mesh (or one water per 19 Å2). This is lower than the expected 2D water density (one water per 10 Å2), but is a dense layer with the NBO.
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The hydration layer is ~3.1 Å above the outermost BO, which is comparable to the expected value of ~2.8 Å for a hydrogen bond.
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Vertical lattice displacements are small
- ΔzSi < 0.2
- ΔzO(NBOs) ~ 0.2 Å, 0.4 Å
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No evidence for any longer range ordering of the water (e.g., due to ‘ice-like’ layers) were observed beyond the surface hydration layer.
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Similar results were obtained for the quartz (10-10) surface.
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Figure: (A) Perspective view of the quartz (10-11) surface showing Si atoms (black) and O atoms (blue). (B) Specular reflectivity data for the quartz-water interface. (C) Derived electron density profile. Note the contributions from the non-bridging oxygen and the surface hydration layer. |
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Reference: M. L. Schlegel, K. L. Nagy, P. Fenter, and N. C. Sturchio, “Structures of prismatic and pyramidal surfaces of quartz: a combined high resolution X-ray reflectivity and atomic force microscopy study” Geochimica et Cosmochimica Acta, 66(17), 3037-3054 (2002).
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