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Crystal Lab › Prototype structures › Orthorhombic

MnGa₂Sb₂

Orthorhombic · space group Iba2 (No. 45) · Pearson oI20

Symmetry elements and Wyckoff positions (interactive)

MnGa₂Sb₂ in Iba2

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

Unit cell

Lattice constants
a = 11.800 Å, b = 5.968 Å, c = 5.858 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
412.5 ų
Atoms in the conventional cell
20 (Mn 4, Ga 8, Sb 8)
Formula units Z
4
Pearson symbol
oI20 — orthorhombic, body-centred lattice, 20 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mn2Mn4a40.00000.00000.7500
Ga1Ga8c80.62900.22710.4930
Sb3Sb8c80.86290.27040.4740

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 20 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

A2BC2_oI20_45_c_a_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oI20, then the space-group number 45, then the Wyckoff letters occupied by each element in turn (Mn: 4a; Ga: 8c; Sb: 8c). 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 A2BC2_oI20_45_c_a_c-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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