Crystal Lab › Prototype structures › Orthorhombic
Sc₂S₃
Orthorhombic · space group Fddd (No. 70) · Pearson oF80
Symmetry elements and Wyckoff positions (interactive)
Sc₂S₃ in Fddd
SettingUnit cell
- Lattice constants
- a = 22.050 Å, b = 7.380 Å, c = 10.410 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1694.0 ų
- Atoms in the conventional cell
- 80 (Sc 32, S 48)
- Formula units Z
- 16
- Pearson symbol
- oF80 — orthorhombic, face-centred lattice, 80 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sc3 | Sc | 16e | 16 | 0.0408 | 0.1250 | 0.1250 |
| Sc4 | Sc | 16e | 16 | 0.3761 | 0.1250 | 0.1250 |
| S1 | S | 16f | 16 | 0.1250 | 0.3697 | 0.1250 |
| S2 | S | 32h | 32 | 0.0439 | 0.1217 | 0.8769 |
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 80 atoms drawn above are these sites multiplied by all 32 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_oF80_70_fh_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF80, then the space-group number 70, then the Wyckoff letters occupied by each element in turn (Sc: 16e; Sc: 16e; S: 16f; S: 32h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Dy₂Se₃, Dy₂Te₃, Eu₂Se₃, Eu₂Te₃, Lu₂Se₃, Sc₂Se₃, Y₂Se₃, Y₂Te₃, Yb₂Se₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2_oF80_70_fh_2e-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.
← TiSi₂ (C54) Nowotony Chimney-Ladder · Space group Fddd (9 prototypes) · All prototypes · RbVSe₂ →