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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Si3 | Si | 4d | 4 | 0.0000 | 0.5000 | 0.2500 |
| Si4 | Si | 4e | 4 | 0.0000 | 0.0000 | 0.8900 |
| Tb6 | Tb | 4e | 4 | 0.0000 | 0.0000 | 0.6690 |
| In1 | In | 8h | 8 | 0.6304 | 0.6304 | 0.0000 |
| Tb7 | Tb | 8h | 8 | 0.8275 | 0.8275 | 0.0000 |
| Si5 | Si | 8i | 8 | 0.6550 | 0.0000 | 0.0000 |
| In2 | In | 16m | 16 | 0.2044 | 0.2044 | 0.6699 |
| Tb8 | Tb | 16n | 16 | 0.0000 | 0.2562 | 0.8140 |
| Tb9 | Tb | 16n | 16 | 0.0000 | 0.3438 | 0.6013 |
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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