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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Cu1Cu2a20.00000.00000.0000
H10H4e40.68440.05880.1027
H11H4e40.69050.14080.9754
H2H4e40.79030.66680.9345
H3H4e40.59840.70080.7749
H4H4e40.53120.66570.9238
H5H4e40.63820.57530.8314
H6H4e40.67100.90380.7790
H7H4e40.89320.87130.7444
H8H4e40.05970.90460.2672
H9H4e40.99780.81590.1420
N12N4e40.64050.65210.8654
O13O4e40.39940.76830.5842
O14O4e40.21880.92420.4511
O15O4e40.36650.92970.7194
O16O4e40.04310.82140.6085
O17O4e40.82270.88330.8234
O18O4e40.96960.89110.1639
O19O4e40.71790.06530.0053
S20S4e40.25480.86100.5893

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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