Crystal Lab › Prototype structures › Orthorhombic
Nb₆Sn₅
Orthorhombic · space group Immm (No. 71) · Pearson oI44
Symmetry elements and Wyckoff positions (interactive)
Nb₆Sn₅ in Immm
SettingUnit cell
- Lattice constants
- a = 5.656 Å, b = 16.843 Å, c = 9.199 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 876.3 ų
- Atoms in the conventional cell
- 44 (Nb 24, Sn 20)
- Formula units Z
- 4
- Pearson symbol
- oI44 — orthorhombic, body-centred lattice, 44 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Nb1 | Nb | 4e | 4 | 0.2360 | 0.0000 | 0.0000 |
| Sn5 | Sn | 4f | 4 | 0.2440 | 0.5000 | 0.0000 |
| Nb2 | Nb | 4g | 4 | 0.0000 | 0.3469 | 0.0000 |
| Sn6 | Sn | 4g | 4 | 0.0000 | 0.1682 | 0.0000 |
| Sn7 | Sn | 4h | 4 | 0.0000 | 0.2061 | 0.5000 |
| Nb3 | Nb | 8k | 8 | 0.2500 | 0.2500 | 0.2500 |
| Nb4 | Nb | 8l | 8 | 0.0000 | 0.0853 | 0.2730 |
| Sn8 | Sn | 8l | 8 | 0.0000 | 0.3957 | 0.3073 |
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 44 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
A6B5_oI44_71_egkl_fghl-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oI44, then the space-group number 71, then the Wyckoff letters occupied by each element in turn (Nb: 4e; Sn: 4f; Nb: 4g; Sn: 4g; Sn: 4h; Nb: 8k; Nb: 8l; Sn: 8l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ti₆Sn₅ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B5_oI44_71_egkl_fghl-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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