Crystal Lab › Prototype structures › Hexagonal
Na_{0.74}CoO₂ CoNa_{0.74}O₂
Hexagonal · space group P63/mmc (No. 194) · Pearson hP10
Symmetry elements and Wyckoff positions (interactive)
Na_{0.74}CoO₂ in P63/mmc
SettingUnit cell
- Lattice constants
- a = 2.840 Å, b = 2.840 Å, c = 10.811 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 75.5 ų
- Atoms in the conventional cell
- 10 (Co 2, Na 4, O 4)
- Formula units Z
- 2
- Pearson symbol
- hP10 — hexagonal / trigonal, primitive lattice, 10 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Co1 | Co | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Na2 | Na | 2b | 2 | 0.0000 | 0.0000 | 0.2500 |
| Na3 | Na | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| O4 | O | 4f | 4 | 0.3333 | 0.6667 | 0.5913 |
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 10 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
AB2C2_hP10_194_a_bc_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP10, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Co: 2a; Na: 2b; Na: 2c; 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 AB2C2_hP10_194_a_bc_f-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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