Crystal Lab › Prototype structures › Hexagonal
SrMg₄
Hexagonal · space group P63/mmc (No. 194) · Pearson hP90
Symmetry elements and Wyckoff positions (interactive)
SrMg₄ in P63/mmc
SettingUnit cell
- Lattice constants
- a = 10.511 Å, b = 10.511 Å, c = 28.362 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 2713.7 ų
- Atoms in the conventional cell
- 90 (Mg 72, Sr 18)
- Formula units Z
- 18
- Pearson symbol
- hP90 — hexagonal / trigonal, primitive lattice, 90 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mg1 | Mg | 4e | 4 | 0.0000 | 0.0000 | 0.1580 |
| Mg2 | Mg | 4f | 4 | 0.3333 | 0.6667 | 0.0373 |
| Mg3 | Mg | 4f | 4 | 0.3333 | 0.6667 | 0.8573 |
| Mg4 | Mg | 6g | 6 | 0.5000 | 0.0000 | 0.0000 |
| Mg5 | Mg | 6h | 6 | 0.8989 | 0.7978 | 0.2500 |
| Sr10 | Sr | 6h | 6 | 0.5220 | 0.0440 | 0.2500 |
| Mg6 | Mg | 12k | 12 | 0.5000 | 0.0000 | 0.1177 |
| Mg7 | Mg | 12k | 12 | 0.7679 | 0.5358 | 0.0546 |
| Mg8 | Mg | 12k | 12 | 0.8323 | 0.6646 | 0.1540 |
| Mg9 | Mg | 12k | 12 | 0.1772 | 0.3544 | 0.1897 |
| Sr11 | Sr | 12k | 12 | 0.1369 | 0.2738 | 0.0625 |
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 90 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
A4B_hP90_194_e2fgh4k_hk-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP90, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Mg: 4e; Mg: 4f; Mg: 4f; Mg: 6g; Mg: 6h; Sr: 6h; Mg: 12k; Mg: 12k; Mg: 12k; Mg: 12k; Sr: 12k). 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 A4B_hP90_194_e2fgh4k_hk-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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