Skip to content

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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Ge2Ge4d40.00000.50000.2500
Ge3Ge4e40.00000.00000.8815
Sc6Sc4e40.00000.00000.6688
Al1Al8h80.62700.62700.0000
Sc7Sc8h80.82720.82720.0000
Ge4Ge8i80.64700.00000.0000
Ge5Ge16m160.70470.70470.1711
Sc8Sc16n160.00000.25070.8102
Sc9Sc16n160.00000.33560.6024

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.

← Sr₃Sc₂O₅Cl₂  ·  Space group I4/mmm (51 prototypes)  ·  All prototypes  ·  Sr₂CuO₂Cl₂ →