Crystal Lab › Prototype structures › Orthorhombic
Ru₂Ge₃ Nowotny Chimney-Ladder Ge₃Ru₂
Orthorhombic · space group Pbcn (No. 60) · Pearson oP40
Symmetry elements and Wyckoff positions (interactive)
Ru₂Ge₃ Nowotny Chimney-Ladder in Pbcn
SettingUnit cell
- Lattice constants
- a = 11.436 Å, b = 9.238 Å, c = 5.716 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 603.9 ų
- Atoms in the conventional cell
- 40 (Ru 16, Ge 24)
- Formula units Z
- 8
- Pearson symbol
- oP40 — orthorhombic, primitive lattice, 40 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ru4 | Ru | 4c | 4 | 0.0000 | 0.0480 | 0.2500 |
| Ru5 | Ru | 4c | 4 | 0.0000 | 0.5720 | 0.2500 |
| Ge1 | Ge | 8d | 8 | 0.4260 | 0.2770 | 0.4660 |
| Ge2 | Ge | 8d | 8 | 0.3290 | 0.4320 | 0.0880 |
| Ge3 | Ge | 8d | 8 | 0.1370 | 0.4010 | 0.3990 |
| Ru6 | Ru | 8d | 8 | 0.2480 | 0.1870 | 0.2420 |
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 8 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
A3B2_oP40_60_3d_2cd-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP40, then the space-group number 60, then the Wyckoff letters occupied by each element in turn (Ru: 4c; Ru: 4c; Ge: 8d; Ge: 8d; Ge: 8d; Ru: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ru₂Si₃ <!--beginning with an
Note: Nowotny Chimney-Ladder.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2_oP40_60_3d_2cd-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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