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Crystal Lab › Prototype structures › Tetragonal

Er₅Rh₆Sn₁₈

Tetragonal · space group I41/acd (No. 142) · Pearson tI232

Symmetry elements and Wyckoff positions (interactive)

Er₅Rh₆Sn₁₈ in I41/acd

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

Unit cell

Lattice constants
a = 13.730 Å, b = 13.730 Å, c = 27.420 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
5169.0 ų
Atoms in the conventional cell
232 (Er 40, Rh 48, Sn 144)
Formula units Z
8
Pearson symbol
tI232 — tetragonal, body-centred lattice, 232 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Er1Er8b80.00000.25000.1250
Rh3Rh16d160.00000.25000.7526
Sn5Sn16e160.71110.00000.2500
Sn6Sn16f160.67650.92650.1250
Sn7Sn16f160.82660.07660.1250
Er2Er32g320.63770.88340.4434
Rh4Rh32g320.50120.99390.3751
Sn10Sn32g320.82420.75470.2878
Sn8Sn32g320.58850.83730.3309
Sn9Sn32g320.50920.07580.2879

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 232 atoms drawn above are these sites multiplied by all 32 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

A5B6C18_tI232_142_bg_dg_e2f3g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI232, then the space-group number 142, then the Wyckoff letters occupied by each element in turn (Er: 8b; Rh: 16d; Sn: 16e; Sn: 16f; Sn: 16f; Er: 32g; Rh: 32g; Sn: 32g; Sn: 32g; Sn: 32g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Lu₅Rh₆Sn₁₈, Sc₅Rh₆Sn₁₈, Y₅Rh₆Sn₁₈ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B6C18_tI232_142_bg_dg_e2f3g-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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