Symmetry elements and Wyckoff positions (interactive)
Ru₃Be₁₇ in Im-3
SettingUnit cell
- Lattice constants
- a = 11.337 Å, b = 11.337 Å, c = 11.337 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1457.1 ų
- Atoms in the conventional cell
- 160 (Be 136, Ru 24)
- Formula units Z
- 8
- Pearson symbol
- cI160 — cubic, body-centred lattice, 160 atoms per conventional cell
- Symmetry operations
- 48 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Be1 | Be | 12d | 12 | 0.4065 | 0.0000 | 0.0000 |
| Be2 | Be | 12e | 12 | 0.1956 | 0.0000 | 0.5000 |
| Be3 | Be | 16f | 16 | 0.6645 | 0.6645 | 0.6645 |
| Be4 | Be | 24g | 24 | 0.0000 | 0.2305 | 0.0914 |
| Be5 | Be | 24g | 24 | 0.0000 | 0.4055 | 0.3488 |
| Ru7 | Ru | 24g | 24 | 0.0000 | 0.1879 | 0.3014 |
| Be6 | Be | 48h | 48 | 0.7010 | 0.6140 | 0.8434 |
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 160 atoms drawn above are these sites multiplied by all 48 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
A17B3_cI160_204_def2gh_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI160, then the space-group number 204, then the Wyckoff letters occupied by each element in turn (Be: 12d; Be: 12e; Be: 16f; Be: 24g; Be: 24g; Ru: 24g; Be: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Os₃Be₁₇ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A17B3_cI160_204_def2gh_g-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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