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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li2 | Li | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Na3 | Na | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Na4 | Na | 2d | 2 | 0.3333 | 0.6667 | 0.7500 |
| O5 | O | 4e | 4 | 0.0000 | 0.0000 | 0.3364 |
| Co1 | Co | 4f | 4 | 0.3333 | 0.6667 | 0.6157 |
| O6 | O | 4f | 4 | 0.3333 | 0.6667 | 0.4367 |
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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