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Crystal Lab › Prototype structures › Orthorhombic

AuMn

Orthorhombic · space group Pmmm (No. 47) · Pearson oP2

Symmetry elements and Wyckoff positions (interactive)

AuMn in Pmmm

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

Unit cell

Lattice constants
a = 3.140 Å, b = 3.170 Å, c = 3.280 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
32.6 ų
Atoms in the conventional cell
2 (Au 1, Mn 1)
Formula units Z
1
Pearson symbol
oP2 — orthorhombic, primitive lattice, 2 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Au1Au1a10.00000.00000.0000
Mn2Mn1h10.50000.50000.5000

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 2 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

AB_oP2_47_a_h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP2, then the space-group number 47, then the Wyckoff letters occupied by each element in turn (Au: 1a; Mn: 1h). 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 AB_oP2_47_a_h-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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