Crystal Lab › Prototype structures › Monoclinic
Ammonium Persulfate [(NH₄)SO₄, K4₁]
Monoclinic · space group P121/c1 (No. 14) · Pearson mP24 · Strukturbericht K41 · mineral: ammonium persulfate
Symmetry elements and Wyckoff positions (interactive)
Ammonium Persulfate [(NH₄)SO₄, K4₁] in P121/c1
SettingUnit cell
- Lattice constants
- a = 7.830 Å, b = 8.008 Å, c = 9.505 Å; α = 90.00°, β = 139.39°, γ = 90.00°
- Cell volume
- 387.9 ų
- Atoms in the conventional cell
- 24 (N 4, O 16, S 4)
- Formula units Z
- 4
- Pearson symbol
- mP24 — monoclinic, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| NH1 | N | 4e | 4 | 0.0899 | 0.8839 | 0.2331 |
| O2 | O | 4e | 4 | 0.4059 | 0.5186 | 0.3818 |
| O3 | O | 4e | 4 | 0.3430 | 0.2170 | 0.3158 |
| O4 | O | 4e | 4 | 0.2414 | 0.4109 | 0.0667 |
| O5 | O | 4e | 4 | 0.6985 | 0.3510 | 0.4181 |
| S6 | S | 4e | 4 | 0.4242 | 0.3572 | 0.2869 |
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
AB4C_mP24_14_e_4e_e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP24, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (N: 4e; O: 4e; O: 4e; O: 4e; O: 4e; S: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CaSO₄ <!--beginning with an
Note: K4₁, Ammonium Persulfate.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB4C_mP24_14_e_4e_e-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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