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Crystal Lab › Prototype structures › Hexagonal

Cs₇O

Hexagonal · space group P-6m2 (No. 187) · Pearson hP24

Symmetry elements and Wyckoff positions (interactive)

Cs₇O in P-6m2

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

Unit cell

Lattice constants
a = 16.244 Å, b = 16.244 Å, c = 9.145 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
2089.8 ų
Atoms in the conventional cell
24 (Cs 21, O 3)
Formula units Z
3
Pearson symbol
hP24 — hexagonal / trigonal, primitive lattice, 24 atoms per conventional cell
Symmetry operations
12 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cs1Cs1a10.00000.00000.0000
Cs2Cs2h20.33330.66670.2032
Cs3Cs3j30.44910.55080.0000
Cs4Cs3j30.78420.21580.0000
O8O3j30.25200.74800.0000
Cs5Cs3k30.55070.44930.5000
Cs6Cs3k30.88770.11230.5000
Cs7Cs6n60.18640.81360.2199

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 24 atoms drawn above are these sites multiplied by all 12 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

A7B_hP24_187_ah2j2kn_j-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP24, then the space-group number 187, then the Wyckoff letters occupied by each element in turn (Cs: 1a; Cs: 2h; Cs: 3j; Cs: 3j; O: 3j; Cs: 3k; Cs: 3k; Cs: 6n). 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 A7B_hP24_187_ah2j2kn_j-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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