Crystal Lab › Prototype structures › Trigonal
KSO₃ (K1₁)
Trigonal · space group P321 (No. 150) · Pearson hP30 · Strukturbericht K11
Symmetry elements and Wyckoff positions (interactive)
KSO₃ (K1₁) in P321
SettingUnit cell
- Lattice constants
- a = 9.820 Å, b = 9.820 Å, c = 6.360 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 531.1 ų
- Atoms in the conventional cell
- 30 (S 6, K 6, O 18)
- Formula units Z
- 6
- Pearson symbol
- hP30 — hexagonal / trigonal, primitive lattice, 30 atoms per conventional cell
- Symmetry operations
- 6 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| S6 | S | 2c | 2 | 0.0000 | 0.0000 | 0.1600 |
| S7 | S | 2d | 2 | 0.3333 | 0.6667 | 0.5900 |
| S8 | S | 2d | 2 | 0.3333 | 0.6667 | 0.2700 |
| K1 | K | 3e | 3 | 0.3000 | 0.0000 | 0.0000 |
| K2 | K | 3f | 3 | 0.6200 | 0.0000 | 0.5000 |
| O3 | O | 6g | 6 | 0.1600 | 0.1100 | 0.2300 |
| O4 | O | 6g | 6 | 0.6100 | 0.1700 | 0.3400 |
| O5 | O | 6g | 6 | 0.5000 | 0.2100 | 0.8000 |
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 30 atoms drawn above are these sites multiplied by all 6 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
AB3C_hP30_150_ef_3g_c2d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP30, then the space-group number 150, then the Wyckoff letters occupied by each element in turn (S: 2c; S: 2d; S: 2d; K: 3e; K: 3f; O: 6g; O: 6g; O: 6g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
RbSO₃ <!--beginning with an
Note: K1₁.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3C_hP30_150_ef_3g_c2d-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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