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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| K1 | K | 2e | 2 | 0.7690 | 0.2500 | 0.0647 |
| K2 | K | 2e | 2 | 0.3602 | 0.2500 | 0.3272 |
| O3 | O | 2e | 2 | 0.3445 | 0.2500 | 0.9593 |
| S6 | S | 2e | 2 | 0.9709 | 0.2500 | 0.6700 |
| S7 | S | 2e | 2 | 0.2986 | 0.2500 | 0.7616 |
| O4 | O | 4f | 4 | 0.9259 | 0.0515 | 0.7657 |
| O5 | O | 4f | 4 | 0.3650 | 0.0530 | 0.6853 |
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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