Crystal Lab › Prototype structures › Orthorhombic
CeRu₂B₂
Orthorhombic · space group F222 (No. 22) · Pearson oF40
Symmetry elements and Wyckoff positions (interactive)
CeRu₂B₂ in F222
SettingUnit cell
- Lattice constants
- a = 9.057 Å, b = 10.026 Å, c = 6.486 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 589.0 ų
- Atoms in the conventional cell
- 40 (Ce 8, B 16, Ru 16)
- Formula units Z
- 8
- Pearson symbol
- oF40 — orthorhombic, face-centred lattice, 40 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ce3 | Ce | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Ce4 | Ce | 4c | 4 | 0.2500 | 0.2500 | 0.2500 |
| B1 | B | 8e | 8 | 0.6866 | 0.0000 | 0.0000 |
| Ru5 | Ru | 8f | 8 | 0.0000 | 0.6373 | 0.0000 |
| Ru6 | Ru | 8i | 8 | 0.2500 | 0.8856 | 0.2500 |
| B2 | B | 8j | 8 | 0.5719 | 0.2500 | 0.2500 |
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 40 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
A2BC2_oF40_22_ej_ac_fi-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF40, then the space-group number 22, then the Wyckoff letters occupied by each element in turn (Ce: 4a; Ce: 4c; B: 8e; Ru: 8f; Ru: 8i; B: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CeOs₂B₂, GdOs₂B₂, GdRu₂B₂, LaOs₂B₂, LaRu₂B₂, NdOs₂B₂, NdRu₂B₂, PrOs₂B₂, PrRu₂B₂, SmOs₂B₂, SmRu₂B₂, ThOs₂B₂, ThRu₂B₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC2_oF40_22_ej_ac_fi-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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