Crystal Lab › Prototype structures › Orthorhombic
K₂S₃O₆ (K5₁)
Orthorhombic · space group Pnma (No. 62) · Pearson oP44 · Strukturbericht K51
Symmetry elements and Wyckoff positions (interactive)
K₂S₃O₆ (K5₁) in Pnma
SettingUnit cell
- Lattice constants
- a = 9.794 Å, b = 5.742 Å, c = 13.690 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 769.9 ų
- Atoms in the conventional cell
- 44 (K 8, O 24, S 12)
- Formula units Z
- 4
- Pearson symbol
- oP44 — orthorhombic, primitive lattice, 44 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| K1 | K | 4c | 4 | 0.1324 | 0.2500 | 0.4084 |
| K2 | K | 4c | 4 | 0.1792 | 0.2500 | 0.7360 |
| O3 | O | 4c | 4 | 0.8837 | 0.2500 | 0.1626 |
| O4 | O | 4c | 4 | 0.3229 | 0.2500 | 0.9241 |
| S7 | S | 4c | 4 | 0.0298 | 0.2500 | 0.1757 |
| S8 | S | 4c | 4 | 0.0907 | 0.2500 | 0.0289 |
| S9 | S | 4c | 4 | 0.3015 | 0.2500 | 0.0293 |
| O5 | O | 8d | 8 | 0.9193 | 0.5411 | 0.7790 |
| O6 | O | 8d | 8 | 0.6492 | 0.5410 | 0.9240 |
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 44 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
A2B6C3_oP44_62_2c_2c2d_3c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP44, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (K: 4c; K: 4c; O: 4c; O: 4c; S: 4c; S: 4c; S: 4c; O: 8d; O: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Rb₂S₃O₆ <!--beginning with an
Note: K5₁.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6C3_oP44_62_2c_2c2d_3c-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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