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Crystal Lab › Prototype structures › Tetragonal

Mn₂Hg₅

Tetragonal · space group P4/mbm (No. 127) · Pearson tP14

Symmetry elements and Wyckoff positions (interactive)

Mn₂Hg₅ in P4/mbm

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

Unit cell

Lattice constants
a = 9.758 Å, b = 9.758 Å, c = 2.998 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
285.5 ų
Atoms in the conventional cell
14 (Hg 10, Mn 4)
Formula units Z
2
Pearson symbol
tP14 — tetragonal, primitive lattice, 14 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Hg1Hg2c20.00000.50000.5000
Mn3Mn4g40.18000.68000.0000
Hg2Hg8j80.06300.20400.5000

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 14 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

A5B2_tP14_127_cj_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP14, then the space-group number 127, then the Wyckoff letters occupied by each element in turn (Hg: 2c; Mn: 4g; Hg: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ag₂Hg₅, Hf₂In₅, Li₂Sn₅, Mn₂Ga₅, Pd₂Hg₅, Ti₂In₅, V₂Ga₅, W₂Ga₅, Ti₃In₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B2_tP14_127_cj_g-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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