Crystal Lab › Prototype structures › Tetragonal
FeCu₂Al₇ (E9_{a})
Tetragonal · space group P4/mnc (No. 128) · Pearson tP40 · Strukturbericht E9a
Symmetry elements and Wyckoff positions (interactive)
FeCu₂Al₇ (E9_{a}) in P4/mnc
SettingUnit cell
- Lattice constants
- a = 6.336 Å, b = 6.336 Å, c = 14.870 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 597.0 ų
- Atoms in the conventional cell
- 40 (Al 28, Fe 4, Cu 8)
- Formula units Z
- 4
- Pearson symbol
- tP40 — tetragonal, primitive lattice, 40 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 4e | 4 | 0.0000 | 0.0000 | 0.1340 |
| Fe5 | Fe | 4e | 4 | 0.0000 | 0.0000 | 0.2992 |
| Al2 | Al | 8g | 8 | 0.1650 | 0.6650 | 0.2500 |
| Cu4 | Cu | 8h | 8 | 0.2780 | 0.0880 | 0.0000 |
| Al3 | Al | 16i | 16 | 0.1980 | 0.4200 | 0.1000 |
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 40 atoms drawn above are these sites multiplied by all 16 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
A7B2C_tP40_128_egi_h_e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP40, then the space-group number 128, then the Wyckoff letters occupied by each element in turn (Al: 4e; Fe: 4e; Al: 8g; Cu: 8h; Al: 16i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CoCu₂Al₇, NiCu₃Al₆, T(CoCuAl) -- an alloy with approximate composition Co₂Cu_{4.9}Al_{17.7} <!--beginning with an
Note: E9_{a}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B2C_tP40_128_egi_h_e-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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