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Crystal Lab › Prototype structures › Hexagonal

CeH₉

Hexagonal · space group P63/mmc (No. 194) · Pearson hP20

Symmetry elements and Wyckoff positions (interactive)

CeH₉ in P63/mmc

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

Unit cell

Lattice constants
a = 3.565 Å, b = 3.565 Å, c = 5.510 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
60.6 ų
Atoms in the conventional cell
20 (H 18, Ce 2)
Formula units Z
2
Pearson symbol
hP20 — hexagonal / trigonal, primitive lattice, 20 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
H2H2b20.00001.00000.2500
Ce1Ce2c20.33330.66670.2500
H3H4f40.33330.66670.6490
H4H12k120.15600.31200.9380

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 20 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

AB9_hP20_194_c_bfk-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP20, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (H: 2b; Ce: 2c; H: 4f; H: 12k). 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 AB9_hP20_194_c_bfk-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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