Crystal Lab › Prototype structures › Hexagonal
Al₅C₃N (E9₄)
Hexagonal · space group P63mc (No. 186) · Pearson hP18 · Strukturbericht E94
Symmetry elements and Wyckoff positions (interactive)
Al₅C₃N (E9₄) in P63mc
SettingUnit cell
- Lattice constants
- a = 3.281 Å, b = 3.281 Å, c = 21.580 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 201.2 ų
- Atoms in the conventional cell
- 18 (Al 10, C 6, N 2)
- Formula units Z
- 2
- Pearson symbol
- hP18 — hexagonal / trigonal, primitive lattice, 18 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 2a | 2 | 0.0000 | 1.0000 | 0.1550 |
| Al2 | Al | 2a | 2 | 0.0000 | 1.0000 | 0.3450 |
| C6 | C | 2a | 2 | 0.0000 | 1.0000 | 0.0000 |
| C7 | C | 2a | 2 | 0.0000 | 1.0000 | 0.2480 |
| Al3 | Al | 2b | 2 | 0.3333 | 0.6667 | 0.0450 |
| Al4 | Al | 2b | 2 | 0.3333 | 0.6667 | 0.2610 |
| Al5 | Al | 2b | 2 | 0.3333 | 0.6667 | 0.4550 |
| C8 | C | 2b | 2 | 0.3333 | 0.6667 | 0.3670 |
| N9 | N | 2b | 2 | 0.3333 | 0.6667 | 0.1370 |
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 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
A5B3C_hP18_186_2a3b_2ab_b-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 186, then the Wyckoff letters occupied by each element in turn (Al: 2a; Al: 2a; C: 2a; C: 2a; Al: 2b; Al: 2b; Al: 2b; C: 2b; N: 2b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
U₂Al₃C₄ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B3C_hP18_186_2a3b_2ab_b-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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