Crystal Lab › Prototype structures › Tetragonal
Ce₅Pd₂In₁₉
Tetragonal · space group P4/mmm (No. 123) · Pearson tP26
Symmetry elements and Wyckoff positions (interactive)
Ce₅Pd₂In₁₉ in P4/mmm
SettingUnit cell
- Lattice constants
- a = 4.701 Å, b = 4.701 Å, c = 29.136 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 643.9 ų
- Atoms in the conventional cell
- 26 (Ce 5, In 19, Pd 2)
- Formula units Z
- 1
- Pearson symbol
- tP26 — tetragonal, primitive lattice, 26 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ce1 | Ce | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| In4 | In | 1c | 1 | 0.5000 | 0.5000 | 0.0000 |
| In5 | In | 2e | 2 | 0.0000 | 0.5000 | 0.5000 |
| Ce2 | Ce | 2g | 2 | 0.0000 | 0.0000 | 0.1606 |
| Ce3 | Ce | 2g | 2 | 0.0000 | 0.0000 | 0.4198 |
| Pd11 | Pd | 2g | 2 | 0.0000 | 0.0000 | 0.2904 |
| In6 | In | 2h | 2 | 0.5000 | 0.5000 | 0.1614 |
| In7 | In | 2h | 2 | 0.5000 | 0.5000 | 0.4189 |
| In10 | In | 4i | 4 | 0.0000 | 0.5000 | 0.3415 |
| In8 | In | 4i | 4 | 0.0000 | 0.5000 | 0.0801 |
| In9 | In | 4i | 4 | 0.0000 | 0.5000 | 0.2391 |
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 26 atoms drawn above are these sites multiplied by all 16 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
A5B19C2_tP26_123_a2g_ce2h3i_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP26, then the space-group number 123, then the Wyckoff letters occupied by each element in turn (Ce: 1a; In: 1c; In: 2e; Ce: 2g; Ce: 2g; Pd: 2g; In: 2h; In: 2h; In: 4i; In: 4i; In: 4i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B19C2_tP26_123_a2g_ce2h3i_g-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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