Crystal Lab › Prototype structures › Orthorhombic
TaNi₂Te₂
Orthorhombic · space group Pnma (No. 62) · Pearson oP20
Symmetry elements and Wyckoff positions (interactive)
TaNi₂Te₂ in Pnma
SettingUnit cell
- Lattice constants
- a = 6.488 Å, b = 3.566 Å, c = 17.014 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 393.6 ų
- Atoms in the conventional cell
- 20 (Ni 8, Ta 4, Te 8)
- Formula units Z
- 4
- Pearson symbol
- oP20 — orthorhombic, primitive lattice, 20 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ni1 | Ni | 4c | 4 | 0.3994 | 0.2500 | 0.6836 |
| Ni2 | Ni | 4c | 4 | 0.2883 | 0.2500 | 0.8185 |
| Ta3 | Ta | 4c | 4 | 0.9048 | 0.2500 | 0.2768 |
| Te4 | Te | 4c | 4 | 0.9087 | 0.2500 | 0.1047 |
| Te5 | Te | 4c | 4 | 0.0959 | 0.2500 | 0.5914 |
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 20 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
A2BC2_oP20_62_2c_c_2c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP20, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Ni: 4c; Ni: 4c; Ta: 4c; Te: 4c; Te: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
TaNi₂(Se, Te)₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC2_oP20_62_2c_c_2c-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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