Crystal Lab › Prototype structures › Trigonal
Na₂SO₃ (G3₂)
Trigonal · space group P-3 (No. 147) · Pearson hP12 · Strukturbericht G32
Symmetry elements and Wyckoff positions (interactive)
Na₂SO₃ (G3₂) in P-3
SettingUnit cell
- Lattice constants
- a = 5.441 Å, b = 5.441 Å, c = 6.133 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 157.2 ų
- Atoms in the conventional cell
- 12 (Na 4, S 2, O 6)
- Formula units Z
- 2
- Pearson symbol
- hP12 — hexagonal / trigonal, primitive lattice, 12 atoms per conventional cell
- Symmetry operations
- 6 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Na1 | Na | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Na2 | Na | 1b | 1 | 0.0000 | 0.0000 | 0.5000 |
| Na3 | Na | 2d | 2 | 0.3333 | 0.6667 | 0.6700 |
| S5 | S | 2d | 2 | 0.3333 | 0.6667 | 0.1700 |
| O4 | O | 6g | 6 | 0.1400 | 0.4000 | 0.2500 |
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 12 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
A2B3C_hP12_147_abd_g_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP12, then the space-group number 147, then the Wyckoff letters occupied by each element in turn (Na: 1a; Na: 1b; Na: 2d; S: 2d; O: 6g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: G3₂.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C_hP12_147_abd_g_d-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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