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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Mg4Mg4a40.00000.00000.0000
Mg5Mg4e40.00000.16380.2500
Mg6Mg4e40.00000.49970.2500
Mg7Mg4e40.00000.83320.2500
H2O1H8f80.33630.97360.0397
H2O2H8f80.85150.82740.0412
H2O3H8f80.88320.15200.0414
O8O8f80.14240.00390.2132
O9O8f80.64100.16830.2123
O10O8f80.35790.06970.1338
O11O8f80.85290.09640.1346
O12O8f80.55930.33160.1339
OH13O8f80.64200.83800.2129
Si14Si8f80.10420.99970.1545
Si15Si8f80.60260.16470.1547

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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