Crystal Lab › Prototype structures › Trigonal
Al₃Ni₂ (D5₁₃)
Trigonal · space group P-3m1 (No. 164) · Pearson hP5 · Strukturbericht D513
Symmetry elements and Wyckoff positions (interactive)
Al₃Ni₂ (D5₁₃) in P-3m1
SettingUnit cell
- Lattice constants
- a = 4.028 Å, b = 4.028 Å, c = 4.891 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 68.7 ų
- Atoms in the conventional cell
- 5 (Al 3, Ni 2)
- Formula units Z
- 1
- Pearson symbol
- hP5 — hexagonal / trigonal, primitive lattice, 5 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 1a | 1 | 0.0000 | 1.0000 | 0.0000 |
| Al2 | Al | 2d | 2 | 0.3333 | 0.6667 | 0.6480 |
| Ni3 | Ni | 2d | 2 | 0.3333 | 0.6667 | 0.1490 |
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 5 atoms drawn above are these sites multiplied by all 12 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
A3B2_hP5_164_ad_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP5, then the space-group number 164, then the Wyckoff letters occupied by each element in turn (Al: 1a; Al: 2d; Ni: 2d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Al₃Cu₂, Al₃In₂, Al₃Pd₂, Al₃Pt₂, Al₃Tc₂, Ga₃Pt₂, In₃Al₂, In₃Pd₂, In₃Pt₂, Mg₃Sb₂, beta'-Ga₃Ni₂, delta'-In₃Ni₂ <!--beginning with an
Note: D5₁₃.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2_hP5_164_ad_d-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.
← β-CuI (Keen-Hull) · Space group P-3m1 (34 prototypes) · All prototypes · Ba₃SrTa₂O₉ →