Crystal Lab › Prototype structures › Orthorhombic
S₁₂ Sulfur
Orthorhombic · space group Pnnm (No. 58) · Pearson oP24
Symmetry elements and Wyckoff positions (interactive)
S₁₂ Sulfur in Pnnm
SettingUnit cell
- Lattice constants
- a = 4.730 Å, b = 9.118 Å, c = 14.530 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 626.7 ų
- Atoms in the conventional cell
- 24 (S 24)
- Formula units Z
- 24
- Pearson symbol
- oP24 — orthorhombic, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| S1 | S | 4e | 4 | 0.0000 | 0.0000 | 0.2263 |
| S2 | S | 4g | 4 | 0.7707 | 0.2725 | 0.0000 |
| S3 | S | 8h | 8 | 0.2383 | 0.1293 | 0.1402 |
| S4 | S | 8h | 8 | 0.0152 | 0.3170 | 0.1135 |
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 24 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
A_oP24_58_eg2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP24, then the space-group number 58, then the Wyckoff letters occupied by each element in turn (S: 4e; S: 4g; S: 8h; S: 8h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: S₁₂ Sulfur.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_oP24_58_eg2h-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.