Crystal Lab › Prototype structures › Orthorhombic
ε-Al₃Ni (D0₂₀)
Orthorhombic · space group Pnma (No. 62) · Pearson oP16 · Strukturbericht D020
Symmetry elements and Wyckoff positions (interactive)
ε-Al₃Ni (D0₂₀) in Pnma
SettingUnit cell
- Lattice constants
- a = 6.598 Å, b = 7.351 Å, c = 4.802 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 232.9 ų
- Atoms in the conventional cell
- 16 (Al 12, Ni 4)
- Formula units Z
- 4
- Pearson symbol
- oP16 — orthorhombic, primitive lattice, 16 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 4c | 4 | 0.5110 | 0.2500 | 0.4150 |
| Ni3 | Ni | 4c | 4 | 0.8690 | 0.2500 | 0.5550 |
| Al2 | Al | 8d | 8 | 0.6740 | 0.0530 | 0.8560 |
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 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
A3B_oP16_62_cd_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP16, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Al: 4c; Ni: 4c; Al: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
In₃Ir <!--beginning with an
Note: D0₂₀.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_oP16_62_cd_c-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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