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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
K2K4e40.00000.09920.2500
Al1Al8f80.75060.58380.0002
O3O8f80.88720.75250.0543
O4O8f80.53660.94310.4459
O5O8f80.91780.59310.1685
O6O8f80.74750.87120.1685
O7O8f80.75090.81320.3424
OH8O8f80.54220.56220.4492
Si10Si8f80.53540.92980.3646
Si9Si8f80.95100.75870.1355

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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