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Crystal Lab › Prototype structures › Tetragonal

Tb₁₁Si₄In₆

Tetragonal · space group I4/mmm (No. 139) · Pearson tI84

Symmetry elements and Wyckoff positions (interactive)

Tb₁₁Si₄In₆ in I4/mmm

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

Unit cell

Lattice constants
a = 11.519 Å, b = 11.519 Å, c = 16.146 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
2142.5 ų
Atoms in the conventional cell
84 (Si 16, Tb 44, In 24)
Formula units Z
4
Pearson symbol
tI84 — tetragonal, body-centred lattice, 84 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Si3Si4d40.00000.50000.2500
Si4Si4e40.00000.00000.8900
Tb6Tb4e40.00000.00000.6690
In1In8h80.63040.63040.0000
Tb7Tb8h80.82750.82750.0000
Si5Si8i80.65500.00000.0000
In2In16m160.20440.20440.6699
Tb8Tb16n160.00000.25620.8140
Tb9Tb16n160.00000.34380.6013

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

A6B4C11_tI84_139_hm_dei_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 (Si: 4d; Si: 4e; Tb: 4e; In: 8h; Tb: 8h; Si: 8i; In: 16m; Tb: 16n; Tb: 16n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Dy₁₁Ge₄In₆, Dy₁₁Si₄In₆, Er₁₁Ge₄In₆, Er₁₁Si₄In₆, Gd₁₁Ge₄In₆, Gd₁₁Si₄In₆, Ho₁₁Ge₄In₆, Ho₁₁Si₄In₆, La₁₁Ge₄In₆, Tb₁₁Ge₄In₆, Y₁₁Ge₄In₆, Y₁₁Si₄In₆ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B4C11_tI84_139_hm_dei_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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