Crystal Lab › Prototype structures › Tetragonal
Au₂Nb₃
Tetragonal · space group I4/mmm (No. 139) · Pearson tI10
Symmetry elements and Wyckoff positions (interactive)
Au₂Nb₃ in I4/mmm
SettingUnit cell
- Lattice constants
- a = 3.377 Å, b = 3.377 Å, c = 15.181 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 173.1 ų
- Atoms in the conventional cell
- 10 (Nb 6, Au 4)
- Formula units Z
- 2
- Pearson symbol
- tI10 — tetragonal, body-centred lattice, 10 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Nb2 | Nb | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Au1 | Au | 4e | 4 | 0.0000 | 0.0000 | 0.2000 |
| Nb3 | Nb | 4e | 4 | 0.0000 | 0.0000 | 0.4000 |
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 10 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
A2B3_tI10_139_e_ae-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI10, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Nb: 2a; Au: 4e; Nb: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Os₂Al₃, Ti₂Cu₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_tI10_139_e_ae-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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