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Crystal Lab › Prototype structures › Hexagonal

Na₉Pb₄ (δ'-NaPb)

Hexagonal · space group P63/mmc (No. 194) · Pearson hP26

Symmetry elements and Wyckoff positions (interactive)

Na₉Pb₄ (δ'-NaPb) in P63/mmc

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

Unit cell

Lattice constants
a = 5.470 Å, b = 5.470 Å, c = 30.410 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
788.0 ų
Atoms in the conventional cell
26 (Na 18, Pb 8)
Formula units Z
2
Pearson symbol
hP26 — hexagonal / trigonal, primitive lattice, 26 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Na1Na2c20.33330.66670.2500
Na2Na4e40.00000.00000.6830
Pb6Pb4e40.00000.00000.5500
Na3Na4f40.33330.66670.5910
Na4Na4f40.33330.66670.0190
Na5Na4f40.33330.66670.1350
Pb7Pb4f40.33330.66670.7000

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 24 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

A9B4_hP26_194_ce3f_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP26, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Na: 2c; Na: 4e; Pb: 4e; Na: 4f; Na: 4f; Na: 4f; Pb: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: \delta'-NaPb.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A9B4_hP26_194_ce3f_ef-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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