Crystal Lab › Prototype structures › Monoclinic
β-Se (A_{l})
Monoclinic · space group P121/c1 (No. 14) · Pearson mP32 · Strukturbericht Al
Symmetry elements and Wyckoff positions (interactive)
β-Se (A_{l}) in P121/c1
SettingUnit cell
- Lattice constants
- a = 9.310 Å, b = 8.070 Å, c = 12.850 Å; α = 90.00°, β = 93.13°, γ = 90.00°
- Cell volume
- 964.0 ų
- Atoms in the conventional cell
- 32 (Se 32)
- Formula units Z
- 32
- Pearson symbol
- mP32 — monoclinic, primitive lattice, 32 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Se1 | Se | 4e | 4 | 0.5630 | 0.8150 | 0.4160 |
| Se2 | Se | 4e | 4 | 0.7540 | 0.7270 | 0.5230 |
| Se3 | Se | 4e | 4 | 0.7600 | 0.8980 | 0.6720 |
| Se4 | Se | 4e | 4 | 0.9500 | 0.0800 | 0.6480 |
| Se5 | Se | 4e | 4 | 0.8430 | 0.3310 | 0.5900 |
| Se6 | Se | 4e | 4 | 0.8580 | 0.3400 | 0.4100 |
| Se7 | Se | 4e | 4 | 0.6320 | 0.2540 | 0.3400 |
| Se8 | Se | 4e | 4 | 0.6660 | 0.9790 | 0.2900 |
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 32 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
A_mP32_14_8e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP32, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: A_{l}, \beta-Se.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mP32_14_8e-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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