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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O1 | O | 4a | 4 | 0.3400 | 0.1770 | 0.0962 |
| O2 | O | 4a | 4 | 0.1590 | 0.7100 | 0.1950 |
| O3 | O | 4a | 4 | 0.0860 | 0.2080 | 0.3120 |
| O4 | O | 4a | 4 | 0.3300 | 0.8400 | 0.4100 |
| Sb5 | Sb | 4a | 4 | 0.9680 | 0.0360 | 0.0090 |
| Sb6 | Sb | 4a | 4 | 0.3660 | 0.0160 | 0.2530 |
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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