Crystal Lab › Prototype structures › Cubic
Low Temperature TmNi₂ Ni₂Tm
Cubic · space group F-43m (No. 216) · Pearson cF192
Symmetry elements and Wyckoff positions (interactive)
Low Temperature TmNi₂ in F-43m
SettingUnit cell
- Lattice constants
- a = 14.156 Å, b = 14.156 Å, c = 14.156 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 2836.8 ų
- Atoms in the conventional cell
- 192 (Tm 64, Ni 128)
- Formula units Z
- 64
- Pearson symbol
- cF192 — cubic, face-centred lattice, 192 atoms per conventional cell
- Symmetry operations
- 96 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Tm5 | Tm | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Tm6 | Tm | 4b | 4 | 0.5000 | 0.5000 | 0.5000 |
| Ni1 | Ni | 16e | 16 | 0.3112 | 0.3112 | 0.3112 |
| Ni2 | Ni | 16e | 16 | 0.8154 | 0.8154 | 0.8154 |
| Tm7 | Tm | 16e | 16 | 0.6256 | 0.6256 | 0.6256 |
| Tm8 | Tm | 16e | 16 | 0.1214 | 0.1214 | 0.1214 |
| Tm9 | Tm | 24g | 24 | 0.0128 | 0.2500 | 0.2500 |
| Ni3 | Ni | 48h | 48 | 0.5646 | 0.5646 | 0.8181 |
| Ni4 | Ni | 48h | 48 | 0.5708 | 0.5708 | 0.3169 |
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 192 atoms drawn above are these sites multiplied by all 96 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
A2B_cF192_216_2e2h_ab2eg-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF192, then the space-group number 216, then the Wyckoff letters occupied by each element in turn (Tm: 4a; Tm: 4b; Ni: 16e; Ni: 16e; Tm: 16e; Tm: 16e; Tm: 24g; Ni: 48h; Ni: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: LT.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_cF192_216_2e2h_ab2eg-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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