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Crystal Lab › Prototype structures › Hexagonal

OP4-LiNaCo₂O₄ Co₂LiNaO₄

Hexagonal · space group P63/mmc (No. 194) · Pearson hP18

Symmetry elements and Wyckoff positions (interactive)

OP4-LiNaCo₂O₄ in P63/mmc

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

Unit cell

Lattice constants
a = 2.821 Å, b = 2.821 Å, c = 20.277 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
139.7 ų
Atoms in the conventional cell
18 (Li 2, Na 4, O 8, Co 4)
Formula units Z
2
Pearson symbol
hP18 — hexagonal / trigonal, primitive lattice, 18 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Li2Li2a20.00000.00000.0000
Na3Na2c20.33330.66670.2500
Na4Na2d20.33330.66670.7500
O5O4e40.00000.00000.3364
Co1Co4f40.33330.66670.6157
O6O4f40.33330.66670.4367

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 18 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

A2BC2D4_hP18_194_f_a_cd_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP18, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Li: 2a; Na: 2c; Na: 2d; O: 4e; Co: 4f; O: 4f). 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 A2BC2D4_hP18_194_f_a_cd_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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