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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Sn6Sn8a80.00000.00000.0000
C1C32e320.85010.85010.8501
Co3Co32e320.91070.91070.9107
O4O32e320.81370.81370.8137
C2C96h960.84930.49270.4009
O5O96h960.80720.54270.3910

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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