Bogdanovite (Cu₃Au, L1₂)

Unit cell

Lattice constants

a = 3.748 Å, b = 3.748 Å, c = 3.748 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

52.6 ų

Atoms in the conventional cell

4 (Au 1, Cu 3)

Formula units Z

1

Pearson symbol

cP4 — cubic, primitive lattice, 4 atoms per conventional cell

Symmetry operations

48 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 4 atoms drawn above are these sites multiplied by all 48 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

AB3_cP4_221_a_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP4, then the space-group number 221, then the Wyckoff letters occupied by each element in turn (Au: 1a; Cu: 3c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Al₃Er, Al₃Li (metastable), Al₃Np, Al₃Tm, Al₃U, Br₃Sr, Ca₃Pb, Fe₃Ga, Fe₃Ge, Fe₃Pt, Ga₃Er, Ga₃Ho, Ga₃Lu, Ga₃Tm, Ga₃U, Ge₃U, Hg₃Zr, In₃Dy, In₃Er, In₃Gd, In₃Ho, In₃Lu, In₃Pu, In₃Tb, In₃Th, In₃U, In₃Y, In₃Yb, Ir₃Cr, Ir₃Nb, Ir₃Tl, Ir₃U, Ir₃V, Ir₃Zr, La₃Al, La₃In, Mn₃Ir, Mn₃Pt, Mn₃Rh, Ni₃Al, Ni₃Fe, Ni₃Ga, Ni₃Ge, Ni₃Mn, Ni₃Si, Pb₃Ca, Pb₃Gd, Pb₃Gd, Pb₃La, Pb₃Nd, Pb₃Pr, Pb₃Pu, Pb₃Y, Pd₃Ce, Pd₃Dy, Pd₃Er, Pd₃Fe, Pd₃Ho, Pd₃La, Pd₃Lu, Pd₃Pb, Pd₃Sc, Pd₃Sc, Pd₃Sn, Pd₃Th, Pd₃U, Pr₃Al, Pt₃Co, Pt₃Cr, Pt₃Dy, Pt₃Fe, Pt₃Ga, Pt₃Ho, Pt₃Mg, Pt₃Mn, Pt₃Np, Pt₃Sc, Pt₃Sn, Pt₃Ti, Pt₃V, Pt₃Y, Pt₃Zn, β-Pu₃Ga, Pu₃In, Rh₃Hf, R

Note: L1₂, Bogdanovite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3_cP4_221_a_c-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.