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Crystal Lab › Prototype structures › Orthorhombic

Cervantite (α-Sb₂O₄)

Orthorhombic · space group Pna21 (No. 33) · Pearson oP24 · mineral: cervantite

Symmetry elements and Wyckoff positions (interactive)

Cervantite (α-Sb₂O₄) in Pna21

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 5.456 Å, b = 4.814 Å, c = 11.787 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
309.6 ų
Atoms in the conventional cell
24 (O 16, Sb 8)
Formula units Z
8
Pearson symbol
oP24 — orthorhombic, primitive lattice, 24 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O1O4a40.34000.17700.0962
O2O4a40.15900.71000.1950
O3O4a40.08600.20800.3120
O4O4a40.33000.84000.4100
Sb5Sb4a40.96800.03600.0090
Sb6Sb4a40.36600.01600.2530

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 24 atoms drawn above are these sites multiplied by all 4 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_oP24_33_4a_2a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP24, then the space-group number 33, then the Wyckoff letters occupied by each element in turn (O: 4a; O: 4a; O: 4a; O: 4a; Sb: 4a; Sb: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BiNbO₄, SbNbO₄, SbTaO₄ (Stibiotantalite), Sb(Ta, Nb)O₄ (Stibiocolumbite) <!--beginning with an

Note: Cervantite (α-Sb₂O₄).

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_oP24_33_4a_2a-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.

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