Khatyrkite (Al₂Cu, C16)

Unit cell

Lattice constants

a = 6.040 Å, b = 6.040 Å, c = 4.860 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

177.3 ų

Atoms in the conventional cell

12 (Cu 4, Al 8)

Formula units Z

4

Pearson symbol

tI12 — tetragonal, body-centred lattice, 12 atoms per conventional cell

Symmetry operations

32 per cell

Crystallographic sites

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 12 atoms drawn above are these sites multiplied by all 32 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

A2B_tI12_140_h_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI12, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Cu: 4a; Al: 8h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Co₂B, Cr₂B, Fe₂B, Fe₂Bi, Ge₂Fe, Hf₂Al, Hf₂Ga, Hf₂Ge, Hf₂Ni, Hf₂Si, Hf₂Th, Hf₂Zr, In₂Ag, Mn₂B, Mo₂B, Na₂Au, Ni₂B, Pb₂Au, Pb₂Pd, Pb₂Rh, Sb₂Ti, Sb₂V, Sc₂Co, Sn₂Co, Sn₂Fe, Sn₂Rh (HT), Ta₂B, Ta₂Ni, Ta₂Si, Ta₂Zr, Th₂Ag, Th₂Al, Th₂Au, Th₂Cu, Th₂Ga, Th₂Ge, Th₂Pd, Th₂Zn, Tl₂Au, Tl₂Pd, Tl₂Pt, W₂B, Zr₂Co, Zr₂Fe, Zr₂Ga, Zr₂Ni, Zr₂Rh <!--beginning with an

Note: C16, Khatyrkite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_tI12_140_h_a-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.