Crystal Lab › Prototype structures › Monoclinic
Muscovite (KH₂Al₃Si₃O₁₂, S5₁)
Monoclinic · space group C12/c1 (No. 15) · Pearson mC76 · Strukturbericht S51 · mineral: muscovite
Symmetry elements and Wyckoff positions (interactive)
Muscovite (KH₂Al₃Si₃O₁₂, S5₁) in C12/c1
SettingUnit cell
- Lattice constants
- a = 5.199 Å, b = 9.027 Å, c = 20.106 Å; α = 90.00°, β = 95.78°, γ = 90.00°
- Cell volume
- 938.7 ų
- Atoms in the conventional cell
- 76 (K 4, Al 8, O 48, Si 16)
- Formula units Z
- 4
- Pearson symbol
- mC76 — monoclinic, base-centred lattice, 76 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| K2 | K | 4e | 4 | 0.0000 | 0.0992 | 0.2500 |
| Al1 | Al | 8f | 8 | 0.7506 | 0.5838 | 0.0002 |
| O3 | O | 8f | 8 | 0.8872 | 0.7525 | 0.0543 |
| O4 | O | 8f | 8 | 0.5366 | 0.9431 | 0.4459 |
| O5 | O | 8f | 8 | 0.9178 | 0.5931 | 0.1685 |
| O6 | O | 8f | 8 | 0.7475 | 0.8712 | 0.1685 |
| O7 | O | 8f | 8 | 0.7509 | 0.8132 | 0.3424 |
| OH8 | O | 8f | 8 | 0.5422 | 0.5622 | 0.4492 |
| Si10 | Si | 8f | 8 | 0.5354 | 0.9298 | 0.3646 |
| Si9 | Si | 8f | 8 | 0.9510 | 0.7587 | 0.1355 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 76 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A2BC10D2E4_mC76_15_f_e_5f_f_2f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC76, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (K: 4e; Al: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; Si: 8f; Si: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: S5₁, Muscovite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC10D2E4_mC76_15_f_e_5f_f_2f-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
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