Crystal Lab › Prototype structures › Monoclinic
Vermiculite [Mg₂Si₂O₅(H₂O)_{1.86}(OH)Si₂]
Monoclinic · space group C12/c1 (No. 15) · Pearson mC104 · mineral: vermiculite
Symmetry elements and Wyckoff positions (interactive)
Vermiculite [Mg₂Si₂O₅(H₂O)_{1.86}(OH)Si₂] in C12/c1
SettingUnit cell
- Lattice constants
- a = 5.349 Å, b = 9.255 Å, c = 28.890 Å; α = 90.00°, β = 97.12°, γ = 90.00°
- Cell volume
- 1419.2 ų
- Atoms in the conventional cell
- 104 (Mg 16, H 24, O 48, Si 16)
- Formula units Z
- 8
- Pearson symbol
- mC104 — monoclinic, base-centred lattice, 104 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mg4 | Mg | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Mg5 | Mg | 4e | 4 | 0.0000 | 0.1638 | 0.2500 |
| Mg6 | Mg | 4e | 4 | 0.0000 | 0.4997 | 0.2500 |
| Mg7 | Mg | 4e | 4 | 0.0000 | 0.8332 | 0.2500 |
| H2O1 | H | 8f | 8 | 0.3363 | 0.9736 | 0.0397 |
| H2O2 | H | 8f | 8 | 0.8515 | 0.8274 | 0.0412 |
| H2O3 | H | 8f | 8 | 0.8832 | 0.1520 | 0.0414 |
| O8 | O | 8f | 8 | 0.1424 | 0.0039 | 0.2132 |
| O9 | O | 8f | 8 | 0.6410 | 0.1683 | 0.2123 |
| O10 | O | 8f | 8 | 0.3579 | 0.0697 | 0.1338 |
| O11 | O | 8f | 8 | 0.8529 | 0.0964 | 0.1346 |
| O12 | O | 8f | 8 | 0.5593 | 0.3316 | 0.1339 |
| OH13 | O | 8f | 8 | 0.6420 | 0.8380 | 0.2129 |
| Si14 | Si | 8f | 8 | 0.1042 | 0.9997 | 0.1545 |
| Si15 | Si | 8f | 8 | 0.6026 | 0.1647 | 0.1547 |
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 104 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
A3B2C5DE2_mC104_15_3f_a3e_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 mC104, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Mg: 4a; Mg: 4e; Mg: 4e; Mg: 4e; H: 8f; H: 8f; H: 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: Vermiculite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2C5DE2_mC104_15_3f_a3e_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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