Schmidmair, D., Kahlenberg, V., Perfler, L., Többens, D. M. (2014) Structural, spectroscopic and computational studies on the monoclinic polymorph (form I) of potassium hydrogen disilicate (KHSi2O5) Mineralogical Magazine, 78 (3) 609-622 doi:10.1180/minmag.2014.078.3.10
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Structural, spectroscopic and computational studies on the monoclinic polymorph (form I) of potassium hydrogen disilicate (KHSi2O5) | ||
| Journal | Mineralogical Magazine | ||
| Authors | Schmidmair, D. | Author | |
| Kahlenberg, V. | Author | ||
| Perfler, L. | Author | ||
| Többens, D. M. | Author | ||
| Year | 2014 (June) | Volume | 78 |
| Issue | 3 | ||
| Publisher | Mineralogical Society | ||
| DOI | doi:10.1180/minmag.2014.078.3.10Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 244523 | Long-form Identifier | mindat:1:5:244523:0 |
| GUID | 0 | ||
| Full Reference | Schmidmair, D., Kahlenberg, V., Perfler, L., Többens, D. M. (2014) Structural, spectroscopic and computational studies on the monoclinic polymorph (form I) of potassium hydrogen disilicate (KHSi2O5) Mineralogical Magazine, 78 (3) 609-622 doi:10.1180/minmag.2014.078.3.10 | ||
| Plain Text | Schmidmair, D., Kahlenberg, V., Perfler, L., Többens, D. M. (2014) Structural, spectroscopic and computational studies on the monoclinic polymorph (form I) of potassium hydrogen disilicate (KHSi2O5) Mineralogical Magazine, 78 (3) 609-622 doi:10.1180/minmag.2014.078.3.10 | ||
| Abstract/Notes | AbstractHydrothermal treatment of quartz with 2 M K2CO3 solutions at 623 K and 1 kbar resulted in the formation of single crystals of the monoclinic polymorph of potassium hydrogen disilicate (KHSi2O5 or KSi2O4(OH)). Basic crystallographic data of this so-called phase I at room conditions are as follows: space group C2/m, a = 14.5895(10) Å, b = 8.2992(3) Å, c = 9.6866(7) Å, β = 122.756(10)°, V = 986.36(10) Å3, Z = 8. The structure was determined by direct methods and refined to a residual of R(|F|) = 0.0224 for 892 independent observed reflections with I > 2σ(I). The compound belongs to the group of chain silicates. It is based on crankshaft-like vierer double-chains running parallel to [010]. The H atoms are associated with silanol groups. Hydrogen bonding between neighbouring double-chains results in the formation of ∼5 Å wide slabs. The three crystallographically independent K cations with six to eight O ligands provide linkage (1) between the chains of a single slab or (2) between adjacent slabs. Structural investigations have been supplemented by micro-Raman spectroscopy. The interpretation of the spectroscopic data including the allocation of the bands to certain vibrational species has been aided by DFT calculations. | ||
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