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Crystal Lab › Prototype structures › Orthorhombic

α (low) Cristobalite

Orthorhombic · space group C2221 (No. 20) · Pearson oC24 · mineral: α (low) Cristobalite

Symmetry elements and Wyckoff positions (interactive)

α (low) Cristobalite in C2221

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

Unit cell

Lattice constants
a = 7.099 Å, b = 7.099 Å, c = 7.006 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
353.1 ų
Atoms in the conventional cell
24 (Al 4, P 4, O 16)
Formula units Z
4
Pearson symbol
oC24 — orthorhombic, base-centred lattice, 24 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al1Al4a40.19800.00000.0000
P4P4b40.00000.30600.2500
O2O8c80.94200.17900.4220
O3O8c80.83000.43300.1910

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 24 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

AB4C_oC24_20_a_2c_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC24, then the space-group number 20, then the Wyckoff letters occupied by each element in turn (Al: 4a; P: 4b; O: 8c; O: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

GaPO₄ <!--beginning with an

Note: α (low) Cristobalite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB4C_oC24_20_a_2c_b-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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