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Crystal Lab › Prototype structures › Tetragonal

Pd₄Se

Tetragonal · space group P-421c (No. 114) · Pearson tP10

Symmetry elements and Wyckoff positions (interactive)

Pd₄Se in P-421c

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

Unit cell

Lattice constants
a = 5.232 Å, b = 5.232 Å, c = 5.647 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
154.6 ų
Atoms in the conventional cell
10 (Se 2, Pd 8)
Formula units Z
2
Pearson symbol
tP10 — tetragonal, primitive lattice, 10 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Se2Se2a20.00000.00000.0000
Pd1Pd8e80.62600.76800.8460

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 10 atoms drawn above are these sites multiplied by all 8 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

A4B_tP10_114_e_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP10, then the space-group number 114, then the Wyckoff letters occupied by each element in turn (Se: 2a; Pd: 8e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Pd₄S <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B_tP10_114_e_a-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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