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Crystal Lab › Prototype structures › Monoclinic

K₂S₂O₅ (K0₁)

Monoclinic · space group P121/m1 (No. 11) · Pearson mP18 · Strukturbericht K01

Symmetry elements and Wyckoff positions (interactive)

K₂S₂O₅ (K0₁) in P121/m1

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

Unit cell

Lattice constants
a = 6.921 Å, b = 6.160 Å, c = 7.537 Å; α = 90.00°, β = 102.79°, γ = 90.00°
Cell volume
313.4 ų
Atoms in the conventional cell
18 (K 4, O 10, S 4)
Formula units Z
2
Pearson symbol
mP18 — monoclinic, primitive lattice, 18 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
K1K2e20.76900.25000.0647
K2K2e20.36020.25000.3272
O3O2e20.34450.25000.9593
S6S2e20.97090.25000.6700
S7S2e20.29860.25000.7616
O4O4f40.92590.05150.7657
O5O4f40.36500.05300.6853

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 18 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

A2B5C2_mP18_11_2e_e2f_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP18, then the space-group number 11, then the Wyckoff letters occupied by each element in turn (K: 2e; K: 2e; O: 2e; S: 2e; S: 2e; O: 4f; O: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

K₂S₂P₅, (NH₄)₂S₂P₅ <!--beginning with an

Note: K0₁.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B5C2_mP18_11_2e_e2f_2e-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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