Voltaite (K₂Fe₈Al[SO₄]₁₂cdot18H₂O)

Unit cell

Lattice constants

a = 27.254 Å, b = 27.254 Å, c = 27.254 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

20243.7 ų

Atoms in the conventional cell

2096 (Al 16, K 32, Fe 128, H 384, O 1344, S 192)

Formula units Z

16

Pearson symbol

cF2096 — cubic, face-centred lattice, 2096 atoms per conventional cell

Symmetry operations

192 per cell

Crystallographic sites

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 2096 atoms drawn above are these sites multiplied by all 192 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

AB8C24D2E84F12_cF2096_228_a_cg_2h_b_7h_h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF2096, then the space-group number 228, then the Wyckoff letters occupied by each element in turn (Al: 16a; K: 32b; Fe: 32c; Fe: 96g; H: 192h; H: 192h; O: 192h; O: 192h; O: 192h; O: 192h; O: 192h; O: 192h; O: 192h; S: 192h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

K₂(Fe_{x}, Cd_{1-x})₈Al[SO₄]₁₂cdot18H₂O, K₂(Fe_{x}, Mg_{1-x})₈Al[SO₄]₁₂cdot18H₂O, K₂(Fe_{x}, Mn_{1-x})₈Al[SO₄]₁₂cdot18H₂O, K₂(Fe_{x}, Zn_{1-x})₈Al[SO₄]₁₂cdot18H₂O, K₂(Mg_{x}, Zn_{1-x})₈Al[SO₄]₁₂cdot18H₂O <!--beginning with an

Note: Voltaite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB8C24D2E84F12_cF2096_228_a_cg_2h_b_7h_h-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.