Crystal Lab › Prototype structures › Tetragonal
Pt₈Ti
Tetragonal · space group I4/mmm (No. 139) · Pearson tI18
Symmetry elements and Wyckoff positions (interactive)
Pt₈Ti in I4/mmm
SettingUnit cell
- Lattice constants
- a = 8.312 Å, b = 8.312 Å, c = 3.897 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 269.2 ų
- Atoms in the conventional cell
- 18 (Ti 2, Pt 16)
- Formula units Z
- 2
- Pearson symbol
- tI18 — tetragonal, body-centred lattice, 18 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ti3 | Ti | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Pt1 | Pt | 8h | 8 | 0.3330 | 0.3330 | 0.0000 |
| Pt2 | Pt | 8i | 8 | 0.3270 | 0.0000 | 0.0000 |
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 18 atoms drawn above are these sites multiplied by all 32 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
A8B_tI18_139_hi_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI18, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Ti: 2a; Pt: 8h; Pt: 8i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ni₈Mo, Ni₈Nb, Ni₈Ta, Ni₈V, Pd₈Mo, Pd₈V, Pd₈W, Pt₈Ce, Pt₈Ti, Pt₈V, Pt₈Zr <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B_tI18_139_hi_a-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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