Dugganite (Pb₃Zn₃TeAs₂O₁₄)

Unit cell

Lattice constants

a = 8.460 Å, b = 8.460 Å, c = 5.206 Å; α = 90.00°, β = 90.00°, γ = 120.00°

Cell volume

322.7 ų

Atoms in the conventional cell

23 (Te 1, As 2, O 14, Pb 3, Zn 3)

Formula units Z

1

Pearson symbol

hP23 — hexagonal / trigonal, primitive lattice, 23 atoms per conventional cell

Symmetry operations

6 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 23 atoms drawn above are these sites multiplied by all 6 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

A2B14C3DE3_hP23_150_d_d2g_e_a_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP23, then the space-group number 150, then the Wyckoff letters occupied by each element in turn (Te: 1a; As: 2d; O: 2d; Pb: 3e; Zn: 3f; O: 6g; O: 6g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ba₃Co₃P₂TeO₁₄, Ca₃NbGa₃Si₂O₁₄, Ca₃Ga₂Ge₄O₁₄ (langasite), La₃Ga₄(Ga, Si)₂GaO₁₄, La₃Ga₅SiO₁₄, Pb₃Mn₃P₂TeO₁₄, Ba₃TeCo₃P₂O₁₄, Pb₃TeCo₃P₂O₁₄, Pb₃TeCo₃V₂O₁₄ <!--beginning with an

Note: Dugganite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B14C3DE3_hP23_150_d_d2g_e_a_f-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.