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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Co1Co2a20.00000.00000.0000
Na2Na2b20.00000.00000.2500
Na3Na2c20.33330.66670.2500
O4O4f40.33330.66670.5913

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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