Stannite (Cu₂FeSnS₄, H2₆)

Unit cell

Lattice constants

a = 5.460 Å, b = 5.460 Å, c = 10.725 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

319.7 ų

Atoms in the conventional cell

16 (Fe 2, Sn 2, Cu 4, S 8)

Formula units Z

2

Pearson symbol

tI16 — tetragonal, body-centred lattice, 16 atoms per conventional cell

Symmetry operations

16 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 16 atoms drawn above are these sites multiplied by all 16 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

A2BC4D_tI16_121_d_a_i_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI16, then the space-group number 121, then the Wyckoff letters occupied by each element in turn (Fe: 2a; Sn: 2b; Cu: 4d; S: 8i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ag₂FeGeS₄, Ag₂FeS₄Sn, Ag₂FeSnS₄, Ag₂GeZnS₄, Ag₂KS₄Sb, Ag₂SnZnS₄, Co₂CuInTe₄, Cu₂CdGeSe₄, Cu₂CdGeTe₄, Cu₂CdSe₄Sn, Cu₂CdSiTe₄, Cu₂CdSnS₄, Cu₂CdSnSe₄, Cu₂CdSnTe₄, Cu₂CoGeS₄, Cu₂CoS₄Sn, Cu₂CoSiS₄, Cu₂CoSnS₄, Cu₂CoSnSe₄, Cu₂FeGeS₄, Cu₂FeGeSe₄, Cu₂FeSiSe₄, Cu₂FeSnS₄, Cu₂FeSnSe₄, Cu₂GeHgS₄, Cu₂GeHgSe₄, Cu₂GeHgTe₄, Cu₂GeMnS₄, Cu₂GeZnS₄, Cu₂GeZnSe₄, Cu₂GeZnTe₄, Cu₂HgS₄Sn, Cu₂HgSiTe₄, Cu₂HgSnS₄, Cu₂HgSnSe₄, Cu₂HgSnTe₄, Cu₂MgSnSe₄, Cu₂MgSnTe₄, Cu₂MnSnS₄, Cu₂MnSnSe₄, Cu₂SbZnS₄, Cu₂SiZnTe₄, Cu₂SnZnS₄, Cu₂SnZnSe₄, Cu₂SnZnTe₄, Fe₂AgGaTe₄, Fe₂AlCuS₄, Fe₂AlCuSe₄, Fe₂AlCuTe₄, Fe₂CuGaS₄, Fe₂CuGaSe₄, Fe₂CuGaTe₄,

Note: H2₆, Stannite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC4D_tI16_121_d_a_i_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.