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Crystal Lab › Prototype structures › Monoclinic

Chrysotile [Mg₃Si₂O₅(OH)₄]

Monoclinic · space group C1c1 (No. 9) · Pearson mC56 · mineral: chrysotile

Symmetry elements and Wyckoff positions (interactive)

Chrysotile [Mg₃Si₂O₅(OH)₄] in C1c1

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

Unit cell

Lattice constants
a = 5.340 Å, b = 9.241 Å, c = 15.947 Å; α = 90.00°, β = 113.18°, γ = 90.00°
Cell volume
723.4 ų
Atoms in the conventional cell
56 (Mg 12, O 36, Si 8)
Formula units Z
4
Pearson symbol
mC56 — monoclinic, base-centred lattice, 56 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mg1Mg4a40.61550.44800.2303
Mg2Mg4a40.10740.62710.2327
Mg3Mg4a40.60220.77350.2204
O4O4a40.57260.44780.0000
O5O4a40.74100.72500.0023
O6O4a40.24580.67140.0063
O7O4a40.69980.60960.1560
O8O4a40.68700.28700.1550
OH10O4a40.51860.94700.2791
OH11O4a40.71410.95530.1807
OH12O4a40.99850.79160.2960
OH9O4a40.51770.61300.2878
Si13Si4a40.56670.61410.0410
Si14Si4a40.56080.28350.0400

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 56 atoms drawn above are these sites multiplied by all 4 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

A3B5C4D2_mC56_9_3a_5a_4a_2a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC56, then the space-group number 9, then the Wyckoff letters occupied by each element in turn (Mg: 4a; Mg: 4a; Mg: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; Si: 4a; Si: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Chrysotile.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B5C4D2_mC56_9_3a_5a_4a_2a-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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