Crystal Lab › Prototype structures › Monoclinic
Tutton salt [Cu(NH₄)₂(SO₄)₂cdotH₂O, H4₄]
Monoclinic · space group P121/c1 (No. 14) · Pearson mP78 · Strukturbericht H44 · mineral: tutton salt
Symmetry elements and Wyckoff positions (interactive)
Tutton salt [Cu(NH₄)₂(SO₄)₂cdotH₂O, H4₄] in P121/c1
SettingUnit cell
- Lattice constants
- a = 6.302 Å, b = 12.380 Å, c = 9.210 Å; α = 90.00°, β = 106.11°, γ = 90.00°
- Cell volume
- 690.3 ų
- Atoms in the conventional cell
- 78 (Cu 2, H 40, N 4, O 28, S 4)
- Formula units Z
- 2
- Pearson symbol
- mP78 — monoclinic, primitive lattice, 78 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu1 | Cu | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| H10 | H | 4e | 4 | 0.6844 | 0.0588 | 0.1027 |
| H11 | H | 4e | 4 | 0.6905 | 0.1408 | 0.9754 |
| H2 | H | 4e | 4 | 0.7903 | 0.6668 | 0.9345 |
| H3 | H | 4e | 4 | 0.5984 | 0.7008 | 0.7749 |
| H4 | H | 4e | 4 | 0.5312 | 0.6657 | 0.9238 |
| H5 | H | 4e | 4 | 0.6382 | 0.5753 | 0.8314 |
| H6 | H | 4e | 4 | 0.6710 | 0.9038 | 0.7790 |
| H7 | H | 4e | 4 | 0.8932 | 0.8713 | 0.7444 |
| H8 | H | 4e | 4 | 0.0597 | 0.9046 | 0.2672 |
| H9 | H | 4e | 4 | 0.9978 | 0.8159 | 0.1420 |
| N12 | N | 4e | 4 | 0.6405 | 0.6521 | 0.8654 |
| O13 | O | 4e | 4 | 0.3994 | 0.7683 | 0.5842 |
| O14 | O | 4e | 4 | 0.2188 | 0.9242 | 0.4511 |
| O15 | O | 4e | 4 | 0.3665 | 0.9297 | 0.7194 |
| O16 | O | 4e | 4 | 0.0431 | 0.8214 | 0.6085 |
| O17 | O | 4e | 4 | 0.8227 | 0.8833 | 0.8234 |
| O18 | O | 4e | 4 | 0.9696 | 0.8911 | 0.1639 |
| O19 | O | 4e | 4 | 0.7179 | 0.0653 | 0.0053 |
| S20 | S | 4e | 4 | 0.2548 | 0.8610 | 0.5893 |
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 78 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
AB20C2D14E2_mP78_14_a_10e_e_7e_e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP78, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Cu: 2a; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; N: 4e; O: 4e; O: 4e; O: 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
Cd(NH₄)₂(SO₄)₂cdot6H₂O, Co(NH₄)₂(SO₄)₂cdot6H₂O, Fe(NH₄)₂(SO₄)₂cdot6H₂O, Mg(NH₄)₂(SO₄)₂cdot6H₂O, Mn(NH₄)₂(SO₄)₂cdot6H₂O, Ni(NH₄)₂(SO₄)₂cdot6H₂O, V(NH₄)₂(SO₄)₂cdot6H₂O, Zn(NH₄)₂(SO₄)₂cdot6H₂O, Mg(NH₄)₂(SeO₄)₂cdot6H₂O, Co(KSO₄)₂cdot6H₂O, Cu(KSeO₄)₂cdot6H₂O, Cu(KSO₄)₂cdot6H₂O, Mg(KSO₄)₂cdot6H₂O, Mg(TlSO₄)₂cdot6H₂O, Ni(KSO₄)₂cdot6H₂O <!--beginning with an
Note: H4₄, Tutton Salt.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB20C2D14E2_mP78_14_a_10e_e_7e_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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