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Crystal Lab › Prototype structures › Monoclinic

η'-Cu₆Sn₅

Monoclinic · space group C12/c1 (No. 15) · Pearson mC44

Symmetry elements and Wyckoff positions (interactive)

η'-Cu₆Sn₅ in C12/c1

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

Unit cell

Lattice constants
a = 11.022 Å, b = 7.282 Å, c = 9.827 Å; α = 90.00°, β = 98.84°, γ = 90.00°
Cell volume
779.4 ų
Atoms in the conventional cell
44 (Cu 24, Sn 20)
Formula units Z
4
Pearson symbol
mC44 — monoclinic, base-centred lattice, 44 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cu1Cu4a40.00000.00000.0000
Cu2Cu4e40.00000.83980.2500
Sn5Sn4e40.00000.20110.2500
Cu3Cu8f80.39900.97300.7976
Cu4Cu8f80.19380.00400.3903
Sn6Sn8f80.60890.16250.4713
Sn7Sn8f80.21480.15500.6421

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 44 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

A6B5_mC44_15_ae2f_e2f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC44, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Cu: 4a; Cu: 4e; Sn: 4e; Cu: 8f; Cu: 8f; Sn: 8f; Sn: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: \eta'-Cu₆Sn₅.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B5_mC44_15_ae2f_e2f-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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