Crystal Lab › Prototype structures › Monoclinic
Tetrataenite (FeNi)
Monoclinic · space group P1m1 (No. 6) · Pearson mP4 · mineral: tetrataenite
Symmetry elements and Wyckoff positions (interactive)
Tetrataenite (FeNi) in P1m1
SettingUnit cell
- Lattice constants
- a = 3.581 Å, b = 3.582 Å, c = 3.587 Å; α = 90.00°, β = 90.04°, γ = 90.00°
- Cell volume
- 46.0 ų
- Atoms in the conventional cell
- 4 (Fe 2, Ni 2)
- Formula units Z
- 2
- Pearson symbol
- mP4 — monoclinic, primitive lattice, 4 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Fe1 | Fe | 1a | 1 | 0.4920 | 0.0000 | 0.0060 |
| Fe2 | Fe | 1a | 1 | 0.9890 | 0.0000 | 0.4800 |
| Ni3 | Ni | 1b | 1 | 0.0000 | 0.5000 | 0.0000 |
| Ni4 | Ni | 1b | 1 | 0.5180 | 0.5000 | 0.5070 |
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 4 atoms drawn above are these sites multiplied by all 2 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
AB_mP4_6_2a_2b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP4, then the space-group number 6, then the Wyckoff letters occupied by each element in turn (Fe: 1a; Fe: 1a; Ni: 1b; Ni: 1b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: Tetrataenite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB_mP4_6_2a_2b-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.