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γ-Alum [AlNa(SO₄)₂ cdot 12H₂O, H4₁₅]

Cubic · space group Pa-3 (No. 205) · Pearson cP192 · Strukturbericht H415 · mineral: gamma-alum

Symmetry elements and Wyckoff positions (interactive)

γ-Alum [AlNa(SO₄)₂ cdot 12H₂O, H4₁₅] in Pa-3

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

Unit cell

Lattice constants
a = 12.213 Å, b = 12.213 Å, c = 12.213 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1821.7 ų
Atoms in the conventional cell
192 (Al 4, Na 4, O 80, S 8, H 96)
Formula units Z
4
Pearson symbol
cP192 — cubic, primitive lattice, 192 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al1Al4a40.00000.00000.0000
Na6Na4b40.50000.50000.5000
O7O8c80.33430.33430.3343
S11S8c80.26520.26520.2652
H2H24d240.58500.31900.3780
H3H24d240.48600.30800.3830
H4H24d240.55500.20200.5020
H5H24d240.58800.33900.1130
O10O24d240.13710.95960.0573
O8O24d240.29570.27830.1508
O9O24d240.07670.04030.3188

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 192 atoms drawn above are these sites multiplied by all 24 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

AB24CD20E2_cP192_205_a_4d_b_c3d_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP192, then the space-group number 205, then the Wyckoff letters occupied by each element in turn (Al: 4a; Na: 4b; O: 8c; S: 8c; H: 24d; H: 24d; H: 24d; H: 24d; O: 24d; O: 24d; O: 24d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: H4₁₅, \gamma-Alum.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB24CD20E2_cP192_205_a_4d_b_c3d_c-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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