Crystal Lab › Prototype structures › Cubic
Sn[Co(CO)₄]₄
Cubic · space group F-43c (No. 219) · Pearson cF296
Symmetry elements and Wyckoff positions (interactive)
Sn[Co(CO)₄]₄ in F-43c
SettingUnit cell
- Lattice constants
- a = 17.255 Å, b = 17.255 Å, c = 17.255 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 5137.4 ų
- Atoms in the conventional cell
- 296 (Sn 8, C 128, Co 32, O 128)
- Formula units Z
- 8
- Pearson symbol
- cF296 — cubic, face-centred lattice, 296 atoms per conventional cell
- Symmetry operations
- 96 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sn6 | Sn | 8a | 8 | 0.0000 | 0.0000 | 0.0000 |
| C1 | C | 32e | 32 | 0.8501 | 0.8501 | 0.8501 |
| Co3 | Co | 32e | 32 | 0.9107 | 0.9107 | 0.9107 |
| O4 | O | 32e | 32 | 0.8137 | 0.8137 | 0.8137 |
| C2 | C | 96h | 96 | 0.8493 | 0.4927 | 0.4009 |
| O5 | O | 96h | 96 | 0.8072 | 0.5427 | 0.3910 |
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 296 atoms drawn above are these sites multiplied by all 96 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
A16B4C16D_cF296_219_eh_e_eh_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF296, then the space-group number 219, then the Wyckoff letters occupied by each element in turn (Sn: 8a; C: 32e; Co: 32e; O: 32e; C: 96h; O: 96h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A16B4C16D_cF296_219_eh_e_eh_a-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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