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Crystal Lab › Prototype structures › Tetragonal

Rh₆Mn₅Bi₁₈

Tetragonal · space group P42/mnm (No. 136) · Pearson tP58

Symmetry elements and Wyckoff positions (interactive)

Rh₆Mn₅Bi₁₈ in P42/mnm

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

Unit cell

Lattice constants
a = 18.526 Å, b = 18.526 Å, c = 4.172 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1432.0 ų
Atoms in the conventional cell
58 (Mn 10, Bi 36, Rh 12)
Formula units Z
2
Pearson symbol
tP58 — tetragonal, primitive lattice, 58 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mn1Mn2a20.00000.00000.0000
Bi2Bi4f40.17110.17110.0000
Mn3Mn4f40.33190.33190.0000
Mn4Mn4g40.24410.75590.0000
Rh5Rh4g40.10090.89910.0000
Bi6Bi8i80.08340.74080.0000
Bi7Bi8i80.37210.49890.0000
Bi8Bi8i80.08560.43780.0000
Bi9Bi8i80.20740.58790.0000
Rh10Rh8i80.18580.32330.0000

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 58 atoms drawn above are these sites multiplied by all 16 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

A18B5C6_tP58_136_f4i_afg_gi-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP58, then the space-group number 136, then the Wyckoff letters occupied by each element in turn (Mn: 2a; Bi: 4f; Mn: 4f; Mn: 4g; Rh: 4g; Bi: 8i; Bi: 8i; Bi: 8i; Bi: 8i; Rh: 8i). 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 A18B5C6_tP58_136_f4i_afg_gi-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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