Crystal Lab › Prototype structures › Hexagonal
CeNi₃
Hexagonal · space group P63/mmc (No. 194) · Pearson hP24
Symmetry elements and Wyckoff positions (interactive)
CeNi₃ in P63/mmc
SettingUnit cell
- Lattice constants
- a = 4.980 Å, b = 4.980 Å, c = 16.540 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 355.2 ų
- Atoms in the conventional cell
- 24 (Ni 18, Ce 6)
- Formula units Z
- 6
- Pearson symbol
- hP24 — hexagonal / trigonal, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ni3 | Ni | 2a | 2 | 0.0000 | 1.0000 | 0.0000 |
| Ni4 | Ni | 2b | 2 | 0.0000 | 1.0000 | 0.2500 |
| Ce1 | Ce | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Ni5 | Ni | 2d | 2 | 0.3333 | 0.6667 | 0.7500 |
| Ce2 | Ce | 4f | 4 | 0.3333 | 0.6667 | 0.0418 |
| Ni6 | Ni | 12k | 12 | 0.8334 | 0.6668 | 0.1272 |
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 24 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
AB3_hP24_194_cf_abdk-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP24, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Ni: 2a; Ni: 2b; Ce: 2c; Ni: 2d; Ce: 4f; Ni: 12k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
DyFe₃, GdNi₃, GdRh₃, LaRh₃, LuNi₃, NdNi₃, NdRh₃, SmCo₃, SmRh₃, TbFe₃, YCo₃, YFe₃, YRh₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3_hP24_194_cf_abdk-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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