Crystal Lab › Prototype structures › Monoclinic
β-Pu
Monoclinic · space group C12/m1 (No. 12) · Pearson mC34
Symmetry elements and Wyckoff positions (interactive)
β-Pu in C12/m1
SettingUnit cell
- Lattice constants
- a = 11.939 Å, b = 10.463 Å, c = 7.859 Å; α = 90.00°, β = 129.00°, γ = 90.00°
- Cell volume
- 762.9 ų
- Atoms in the conventional cell
- 34 (Pu 34)
- Formula units Z
- 34
- Pearson symbol
- mC34 — monoclinic, base-centred lattice, 34 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Pu1 | Pu | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Pu2 | Pu | 4h | 4 | 0.0000 | 0.2800 | 0.5000 |
| Pu3 | Pu | 4i | 4 | 0.8540 | 0.0000 | 0.2410 |
| Pu4 | Pu | 4i | 4 | 0.6630 | 0.0000 | 0.7450 |
| Pu5 | Pu | 4i | 4 | 0.5660 | 0.0000 | 0.2380 |
| Pu6 | Pu | 8j | 8 | 0.3550 | 0.2320 | 0.9630 |
| Pu7 | Pu | 8j | 8 | 0.8330 | 0.8500 | 0.5860 |
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 34 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_mC34_12_ah3i2j-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC34, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Pu: 2a; Pu: 4h; Pu: 4i; Pu: 4i; Pu: 4i; Pu: 8j; Pu: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: \beta-Pu.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mC34_12_ah3i2j-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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