Crystal Lab › Prototype structures › Monoclinic
α-Pu
Monoclinic · space group P121/m1 (No. 11) · Pearson mP16
Symmetry elements and Wyckoff positions (interactive)
α-Pu in P121/m1
SettingUnit cell
- Lattice constants
- a = 6.183 Å, b = 4.822 Å, c = 10.963 Å; α = 90.00°, β = 101.79°, γ = 90.00°
- Cell volume
- 320.0 ų
- Atoms in the conventional cell
- 16 (Pu 16)
- Formula units Z
- 16
- Pearson symbol
- mP16 — monoclinic, primitive lattice, 16 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Pu1 | Pu | 2e | 2 | 0.6550 | 0.2500 | 0.8380 |
| Pu2 | Pu | 2e | 2 | 0.2330 | 0.2500 | 0.8320 |
| Pu3 | Pu | 2e | 2 | 0.8720 | 0.2500 | 0.6600 |
| Pu4 | Pu | 2e | 2 | 0.3430 | 0.2500 | 0.5430 |
| Pu5 | Pu | 2e | 2 | 0.9750 | 0.2500 | 0.3820 |
| Pu6 | Pu | 2e | 2 | 0.5270 | 0.2500 | 0.3470 |
| Pu7 | Pu | 2e | 2 | 0.6720 | 0.2500 | 0.0740 |
| Pu8 | Pu | 2e | 2 | 0.1310 | 0.2500 | 0.1060 |
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 16 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_mP16_11_8e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP16, then the space-group number 11, then the Wyckoff letters occupied by each element in turn (Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: α-Pu.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mP16_11_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.
← NiTi · Space group P121/m1 (19 prototypes) · All prototypes