Crystal Lab › Prototype structures › Tetragonal
Sc₁₁Al₂Ge₈
Tetragonal · space group I4/mmm (No. 139) · Pearson tI84
Symmetry elements and Wyckoff positions (interactive)
Sc₁₁Al₂Ge₈ in I4/mmm
SettingUnit cell
- Lattice constants
- a = 10.419 Å, b = 10.419 Å, c = 14.974 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1625.5 ų
- Atoms in the conventional cell
- 84 (Ge 32, Sc 44, Al 8)
- Formula units Z
- 4
- Pearson symbol
- tI84 — tetragonal, body-centred lattice, 84 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ge2 | Ge | 4d | 4 | 0.0000 | 0.5000 | 0.2500 |
| Ge3 | Ge | 4e | 4 | 0.0000 | 0.0000 | 0.8815 |
| Sc6 | Sc | 4e | 4 | 0.0000 | 0.0000 | 0.6688 |
| Al1 | Al | 8h | 8 | 0.6270 | 0.6270 | 0.0000 |
| Sc7 | Sc | 8h | 8 | 0.8272 | 0.8272 | 0.0000 |
| Ge4 | Ge | 8i | 8 | 0.6470 | 0.0000 | 0.0000 |
| Ge5 | Ge | 16m | 16 | 0.7047 | 0.7047 | 0.1711 |
| Sc8 | Sc | 16n | 16 | 0.0000 | 0.2507 | 0.8102 |
| Sc9 | Sc | 16n | 16 | 0.0000 | 0.3356 | 0.6024 |
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 84 atoms drawn above are these sites multiplied by all 32 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
A2B8C11_tI84_139_h_deim_eh2n-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI84, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Ge: 4d; Ge: 4e; Sc: 4e; Al: 8h; Sc: 8h; Ge: 8i; Ge: 16m; Sc: 16n; Sc: 16n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Er₁₁Al₂Ge₈, Gd₁₁In₂Ge₈, Yb₁₁Sn₂Bi₈ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B8C11_tI84_139_h_deim_eh2n-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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