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Crystal Lab › Prototype structures › Monoclinic

(CdSO₄)₃cdot8H₂O (H4₂₀)

Monoclinic · space group C12/c1 (No. 15) · Pearson mC168 · Strukturbericht H420

Symmetry elements and Wyckoff positions (interactive)

(CdSO₄)₃cdot8H₂O (H4₂₀) in C12/c1

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

Unit cell

Lattice constants
a = 14.818 Å, b = 11.903 Å, c = 18.582 Å; α = 90.00°, β = 149.65°, γ = 90.00°
Cell volume
1656.1 ų
Atoms in the conventional cell
168 (Cd 12, S 12, H 64, O 80)
Formula units Z
4
Pearson symbol
mC168 — monoclinic, base-centred lattice, 168 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cd1Cd4e40.00000.69640.2500
S21S4e40.00000.25830.2500
Cd2Cd8f80.43940.65510.0350
H10H8f80.71200.55000.4020
H3H8f80.04900.50200.7160
H4H8f80.94600.45900.6010
H5H8f80.40700.82900.4060
H6H8f80.33000.82500.3090
H7H8f80.73300.57600.2880
H8H8f80.79600.59700.2730
H9H8f80.69000.45300.3460
O11O8f80.41150.68580.1357
O12O8f80.36600.82990.1936
O13O8f80.69830.72090.0521
O14O8f80.35410.47690.0033
O15O8f80.51800.34360.1832
O16O8f80.07780.86520.0982
O17O8f80.02630.44280.6827
O18O8f80.43150.82460.4019
O19O8f80.72870.60840.2573
O20O8f80.75320.50060.4077
S22S8f80.93610.86700.0563

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 168 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

A3B16C20D3_mC168_15_ef_8f_10f_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC168, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Cd: 4e; S: 4e; Cd: 8f; H: 8f; H: 8f; H: 8f; H: 8f; H: 8f; H: 8f; H: 8f; H: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; S: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: H4₂₀.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B16C20D3_mC168_15_ef_8f_10f_ef-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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