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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Nb2Nb2a20.00000.00000.0000
Au1Au4e40.00000.00000.2000
Nb3Nb4e40.00000.00000.4000

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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