Crystal Lab › Prototype structures › Orthorhombic
MnGa₂Sb₂
Orthorhombic · space group Iba2 (No. 45) · Pearson oI20
Symmetry elements and Wyckoff positions (interactive)
MnGa₂Sb₂ in Iba2
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn2 | Mn | 4a | 4 | 0.0000 | 0.0000 | 0.7500 |
| Ga1 | Ga | 8c | 8 | 0.6290 | 0.2271 | 0.4930 |
| Sb3 | Sb | 8c | 8 | 0.8629 | 0.2704 | 0.4740 |
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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