Crystal Lab › Prototype structures › Orthorhombic
Orthorhombic Sr₄Ru₃O₁₀ O₁₀Ru₃Sr₄
Orthorhombic · space group Cmce (No. 64) · Pearson oC68
Symmetry elements and Wyckoff positions (interactive)
Orthorhombic Sr₄Ru₃O₁₀ in Cmce
SettingUnit cell
- Lattice constants
- a = 28.573 Å, b = 3.900 Å, c = 3.900 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 434.6 ų
- Atoms in the conventional cell
- 68 (Ru 12, O 40, Sr 16)
- Formula units Z
- 4
- Pearson symbol
- oC68 — orthorhombic, base-centred lattice, 68 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ru5 | Ru | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| O1 | O | 8d | 8 | 0.9305 | 0.0000 | 0.0000 |
| O2 | O | 8d | 8 | 0.7870 | 0.0000 | 0.0000 |
| Ru6 | Ru | 8d | 8 | 0.8598 | 0.0000 | 0.0000 |
| Sr7 | Sr | 8d | 8 | 0.7039 | 0.0000 | 0.0000 |
| Sr8 | Sr | 8d | 8 | 0.5699 | 0.0000 | 0.0000 |
| O3 | O | 8f | 8 | 0.0000 | 0.2971 | 0.2028 |
| O4 | O | 16g | 16 | 0.8608 | 0.2271 | 0.2721 |
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 68 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
A10B3C4_oP68_55_2e2fgh2i_adef_2e2f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC68, then the space-group number 64, then the Wyckoff letters occupied by each element in turn (Ru: 4a; O: 8d; O: 8d; Ru: 8d; Sr: 8d; Sr: 8d; O: 8f; O: 16g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: Primitive Orthorhombic.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A10B3C4_oP68_55_2e2fgh2i_adef_2e2f-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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