Symmetry elements and Wyckoff positions (interactive)
Li₂Pd₃B in P4332
SettingUnit cell
- Lattice constants
- a = 6.753 Å, b = 6.753 Å, c = 6.753 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 308.0 ų
- Atoms in the conventional cell
- 24 (B 4, Li 8, Pd 12)
- Formula units Z
- 4
- Pearson symbol
- cP24 — cubic, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 4a | 4 | 0.1250 | 0.1250 | 0.1250 |
| Li2 | Li | 8c | 8 | 0.4428 | 0.4428 | 0.4428 |
| Pd3 | Pd | 12d | 12 | 0.1250 | 0.6958 | 0.5542 |
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 24 atoms drawn above are these sites multiplied by all 24 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
AB2C3_cP24_212_a_c_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP24, then the space-group number 212, then the Wyckoff letters occupied by each element in turn (B: 4a; Li: 8c; Pd: 12d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Li₂Pt₃B <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C3_cP24_212_a_c_d-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.