Crystal Lab › Prototype structures › Hexagonal
E2₃ (LiIO₃) Structure ( Obsolete ): ABC3_hP10_182_c_b_g-001
Hexagonal · space group P6322 (No. 182) · Pearson hP10 · Strukturbericht E23
Symmetry elements and Wyckoff positions (interactive)
E2₃ (LiIO₃) Structure ( Obsolete ): ABC3_hP10_182_c_b_g-001 in P6322
SettingUnit cell
- Lattice constants
- a = 5.469 Å, b = 5.469 Å, c = 5.155 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 133.5 ų
- Atoms in the conventional cell
- 10 (Li 2, I 2, O 6)
- Formula units Z
- 2
- Pearson symbol
- hP10 — hexagonal / trigonal, primitive lattice, 10 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li2 | Li | 2b | 2 | 0.0000 | 1.0000 | 0.2500 |
| I1 | I | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| O3 | O | 6g | 6 | 0.3333 | 1.0000 | 0.0000 |
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 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
ABC3_hP10_182_c_b_g-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 182, then the Wyckoff letters occupied by each element in turn (Li: 2b; I: 2c; O: 6g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: E2₃ (Obsolete).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC3_hP10_182_c_b_g-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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