Crystal Lab › Prototype structures › Hexagonal
Na₉Pb₄ (δ'-NaPb)
Hexagonal · space group P63/mmc (No. 194) · Pearson hP26
Symmetry elements and Wyckoff positions (interactive)
Na₉Pb₄ (δ'-NaPb) in P63/mmc
SettingUnit cell
- Lattice constants
- a = 5.470 Å, b = 5.470 Å, c = 30.410 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 788.0 ų
- Atoms in the conventional cell
- 26 (Na 18, Pb 8)
- Formula units Z
- 2
- Pearson symbol
- hP26 — hexagonal / trigonal, primitive lattice, 26 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Na1 | Na | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Na2 | Na | 4e | 4 | 0.0000 | 0.0000 | 0.6830 |
| Pb6 | Pb | 4e | 4 | 0.0000 | 0.0000 | 0.5500 |
| Na3 | Na | 4f | 4 | 0.3333 | 0.6667 | 0.5910 |
| Na4 | Na | 4f | 4 | 0.3333 | 0.6667 | 0.0190 |
| Na5 | Na | 4f | 4 | 0.3333 | 0.6667 | 0.1350 |
| Pb7 | Pb | 4f | 4 | 0.3333 | 0.6667 | 0.7000 |
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 26 atoms drawn above are these sites multiplied by all 24 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
A9B4_hP26_194_ce3f_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP26, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Na: 2c; Na: 4e; Pb: 4e; Na: 4f; Na: 4f; Na: 4f; Pb: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: \delta'-NaPb.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A9B4_hP26_194_ce3f_ef-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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