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Crystal Lab › Prototype structures › Hexagonal

Th₃Pd₅

Hexagonal · space group P-62m (No. 189) · Pearson hP8

Symmetry elements and Wyckoff positions (interactive)

Th₃Pd₅ in P-62m

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

Unit cell

Lattice constants
a = 7.162 Å, b = 7.162 Å, c = 3.908 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
173.6 ų
Atoms in the conventional cell
8 (Pd 5, Th 3)
Formula units Z
1
Pearson symbol
hP8 — hexagonal / trigonal, primitive lattice, 8 atoms per conventional cell
Symmetry operations
12 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Pd1Pd2c20.33330.66670.0000
Pd2Pd3f30.75000.00000.0000
Th3Th3g30.33000.00000.5000

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 8 atoms drawn above are these sites multiplied by all 12 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

A5B3_hP8_189_cf_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP8, then the space-group number 189, then the Wyckoff letters occupied by each element in turn (Pd: 2c; Pd: 3f; Th: 3g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Th₃Pt₅, Yb₃Ge₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B3_hP8_189_cf_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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