Crystal Lab › Prototype structures › Orthorhombic
AgClO₂
Orthorhombic · space group Pcca (No. 54) · Pearson oP16
Symmetry elements and Wyckoff positions (interactive)
AgClO₂ in Pcca
SettingUnit cell
- Lattice constants
- a = 6.075 Å, b = 6.680 Å, c = 6.123 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 248.5 ų
- Atoms in the conventional cell
- 16 (Ag 4, Cl 4, O 8)
- Formula units Z
- 4
- Pearson symbol
- oP16 — orthorhombic, primitive lattice, 16 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ag1 | Ag | 4c | 4 | 0.0000 | 0.1131 | 0.2500 |
| Cl2 | Cl | 4c | 4 | 0.0000 | 0.6324 | 0.2500 |
| O3 | O | 8f | 8 | 0.3509 | 0.2274 | 0.1056 |
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 8 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
ABC2_oP16_54_c_c_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP16, then the space-group number 54, then the Wyckoff letters occupied by each element in turn (Ag: 4c; Cl: 4c; O: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC2_oP16_54_c_c_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.
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