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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cd1 | Cd | 4e | 4 | 0.0000 | 0.6964 | 0.2500 |
| S21 | S | 4e | 4 | 0.0000 | 0.2583 | 0.2500 |
| Cd2 | Cd | 8f | 8 | 0.4394 | 0.6551 | 0.0350 |
| H10 | H | 8f | 8 | 0.7120 | 0.5500 | 0.4020 |
| H3 | H | 8f | 8 | 0.0490 | 0.5020 | 0.7160 |
| H4 | H | 8f | 8 | 0.9460 | 0.4590 | 0.6010 |
| H5 | H | 8f | 8 | 0.4070 | 0.8290 | 0.4060 |
| H6 | H | 8f | 8 | 0.3300 | 0.8250 | 0.3090 |
| H7 | H | 8f | 8 | 0.7330 | 0.5760 | 0.2880 |
| H8 | H | 8f | 8 | 0.7960 | 0.5970 | 0.2730 |
| H9 | H | 8f | 8 | 0.6900 | 0.4530 | 0.3460 |
| O11 | O | 8f | 8 | 0.4115 | 0.6858 | 0.1357 |
| O12 | O | 8f | 8 | 0.3660 | 0.8299 | 0.1936 |
| O13 | O | 8f | 8 | 0.6983 | 0.7209 | 0.0521 |
| O14 | O | 8f | 8 | 0.3541 | 0.4769 | 0.0033 |
| O15 | O | 8f | 8 | 0.5180 | 0.3436 | 0.1832 |
| O16 | O | 8f | 8 | 0.0778 | 0.8652 | 0.0982 |
| O17 | O | 8f | 8 | 0.0263 | 0.4428 | 0.6827 |
| O18 | O | 8f | 8 | 0.4315 | 0.8246 | 0.4019 |
| O19 | O | 8f | 8 | 0.7287 | 0.6084 | 0.2573 |
| O20 | O | 8f | 8 | 0.7532 | 0.5006 | 0.4077 |
| S22 | S | 8f | 8 | 0.9361 | 0.8670 | 0.0563 |
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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