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Monoclinic (Cc) Low Tridymite (SiO₂)

Monoclinic · space group C1c1 (No. 9) · Pearson mC144

Symmetry elements and Wyckoff positions (interactive)

Monoclinic (Cc) Low Tridymite (SiO₂) in C1c1

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

Unit cell

Lattice constants
a = 18.524 Å, b = 5.003 Å, c = 33.919 Å; α = 90.00°, β = 137.52°, γ = 90.00°
Cell volume
2123.1 ų
Atoms in the conventional cell
144 (O 96, Si 48)
Formula units Z
48
Pearson symbol
mC144 — monoclinic, base-centred lattice, 144 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O1O4a40.60690.10100.1818
O2O4a40.58170.59000.1524
O3O4a40.78340.88800.5149
O4O4a40.73390.39400.4848
O5O4a40.91040.10200.3259
O6O4a40.94390.60200.3566
O7O4a40.20140.91400.0787
O8O4a40.14790.41800.0639
O9O4a40.47210.89500.2462
O10O4a40.52620.39300.2598
O11O4a40.79580.09100.4153
O12O4a40.85280.59300.4339
O13O4a40.89720.26100.3938
O14O4a40.08020.23900.4335
O15O4a40.67910.75500.3289
O16O4a40.56710.74600.2195
O17O4a40.40360.24900.2672
O18O4a40.33060.25300.1667
O19O4a40.75500.74300.2602
O20O4a40.43630.26100.0732
O21O4a40.62050.24200.1132
O22O4a40.00000.21800.5000
O23O4a40.68500.74100.4102
O24O4a40.31010.27100.0845
Si25Si4a40.88510.29100.4358
Si26Si4a40.56170.69700.2653
Si27Si4a40.95770.29900.3775
Si28Si4a40.62940.79300.2045
Si29Si4a40.87820.79800.3029
Si30Si4a40.69710.69400.4614
Si31Si4a40.43160.19900.2339
Si32Si4a40.75200.79100.3973
Si33Si4a40.24530.21300.0984
Si34Si4a40.11490.71600.0642
Si35Si4a40.31510.30900.0395
Si36Si4a40.56010.29900.1298

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 144 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

A2B_mC144_9_24a_12a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC144, then the space-group number 9, then the Wyckoff letters occupied by each element in turn (O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a; Si: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Low Tridymite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_mC144_9_24a_12a-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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