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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Ce1Ce1a10.00000.00000.0000
In4In1c10.50000.50000.0000
In5In2e20.00000.50000.5000
Ce2Ce2g20.00000.00000.1606
Ce3Ce2g20.00000.00000.4198
Pd11Pd2g20.00000.00000.2904
In6In2h20.50000.50000.1614
In7In2h20.50000.50000.4189
In10In4i40.00000.50000.3415
In8In4i40.00000.50000.0801
In9In4i40.00000.50000.2391

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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