Crystal Lab › Prototype structures › Tetragonal
T-50 B (A_{g})
Tetragonal · space group P42/nnm (No. 134) · Pearson tP50 · Strukturbericht Ag
Symmetry elements and Wyckoff positions (interactive)
T-50 B (A_{g}) in P42/nnm
SettingUnit cell
- Lattice constants
- a = 8.740 Å, b = 8.740 Å, c = 5.030 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 384.2 ų
- Atoms in the conventional cell
- 50 (B 50)
- Formula units Z
- 50
- Pearson symbol
- tP50 — tetragonal, primitive lattice, 50 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 2a | 2 | 0.2500 | 0.7500 | 0.2500 |
| B2 | B | 8m | 8 | 0.5048 | 0.4952 | 0.1685 |
| B3 | B | 8m | 8 | 0.6305 | 0.3695 | 0.6280 |
| B4 | B | 16n | 16 | 0.6695 | 0.0228 | 0.1635 |
| B5 | B | 16n | 16 | 0.5753 | 0.8383 | 0.1485 |
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 50 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
A_tP50_134_a2m2n-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP50, then the space-group number 134, then the Wyckoff letters occupied by each element in turn (B: 2a; B: 8m; B: 8m; B: 16n; B: 16n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: A_{g}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_tP50_134_a2m2n-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.