Corderoite (α-Hg₃S₂Cl₂)

Unit cell

Lattice constants

a = 8.940 Å, b = 8.940 Å, c = 8.940 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

714.5 ų

Atoms in the conventional cell

28 (Cl 8, S 8, Hg 12)

Formula units Z

4

Pearson symbol

cI28 — cubic, body-centred lattice, 28 atoms per conventional cell

Symmetry operations

24 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 28 atoms drawn above are these sites multiplied by all 24 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

A2B3C2_cI28_199_a_b_a-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI28, then the space-group number 199, then the Wyckoff letters occupied by each element in turn (Cl: 8a; S: 8a; Hg: 12b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Hg₃S₂F₂, Hg₃S₂I₂, Hg₃Se₂F₂, Hg₃Se₂Cl₂, Hg₃Te₂Br₂, Hg₃Te₂Cl₂, K₂Pb₂O₃, K₂Sn₂O₃, Pd₃S₂Bi₂ <!--beginning with an

Note: Corderoite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C2_cI28_199_a_b_a-002 (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.