Crystal Lab › Prototype structures › Monoclinic
α-monoclinic Selenium
Monoclinic · space group P121/c1 (No. 14) · Pearson mP32
Symmetry elements and Wyckoff positions (interactive)
α-monoclinic Selenium in P121/c1
SettingUnit cell
- Lattice constants
- a = 11.601 Å, b = 9.083 Å, c = 14.816 Å; α = 90.00°, β = 142.34°, γ = 90.00°
- Cell volume
- 953.9 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 | 0.5571 | 0.0160 | 0.3209 |
| Se2 | Se | 4e | 4 | 0.7823 | 0.8375 | 0.4254 |
| Se3 | Se | 4e | 4 | 0.8556 | 0.8624 | 0.3178 |
| Se4 | Se | 4e | 4 | 0.6872 | 0.6814 | 0.1343 |
| Se5 | Se | 4e | 4 | 0.4341 | 0.8096 | 0.9138 |
| Se6 | Se | 4e | 4 | 0.1729 | 0.7678 | 0.8435 |
| Se7 | Se | 4e | 4 | 0.1476 | 0.9783 | 0.9186 |
| Se8 | Se | 4e | 4 | 0.2638 | 0.9010 | 0.1301 |
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-002: 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: α-monoclinic Selenium.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mP32_14_8e-002 (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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