Crystal Lab › Prototype structures › Tetragonal
Ni₃P (D0_{e})
Tetragonal · space group I-4 (No. 82) · Pearson tI32 · Strukturbericht D03
Symmetry elements and Wyckoff positions (interactive)
Ni₃P (D0_{e}) in I-4
SettingUnit cell
- Lattice constants
- a = 8.954 Å, b = 8.954 Å, c = 4.439 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 355.9 ų
- Atoms in the conventional cell
- 32 (Ni 24, P 8)
- Formula units Z
- 8
- Pearson symbol
- tI32 — tetragonal, body-centred lattice, 32 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ni1 | Ni | 8g | 8 | 0.0775 | 0.6117 | 0.9891 |
| Ni2 | Ni | 8g | 8 | 0.8649 | 0.0321 | 0.2265 |
| Ni3 | Ni | 8g | 8 | 0.1689 | 0.7200 | 0.5024 |
| P4 | P | 8g | 8 | 0.7862 | 0.0487 | 0.7307 |
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 32 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_tI32_82_3g_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI32, then the space-group number 82, then the Wyckoff letters occupied by each element in turn (Ni: 8g; Ni: 8g; Ni: 8g; P: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cr₃P, Fe₃B, Fe₃P, Mn₃P, Mo₃P, Ti₃P, V₃P <!--beginning with an
Note: D0₃.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_tI32_82_3g_g-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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