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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Al1Al2a20.00001.00000.1550
Al2Al2a20.00001.00000.3450
C6C2a20.00001.00000.0000
C7C2a20.00001.00000.2480
Al3Al2b20.33330.66670.0450
Al4Al2b20.33330.66670.2610
Al5Al2b20.33330.66670.4550
C8C2b20.33330.66670.3670
N9N2b20.33330.66670.1370

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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