Crystal Lab › Prototype structures › Tetragonal
C₁₉Sc₁₅
Tetragonal · space group P-421c (No. 114) · Pearson tP68
Symmetry elements and Wyckoff positions (interactive)
C₁₉Sc₁₅ in P-421c
SettingUnit cell
- Lattice constants
- a = 7.500 Å, b = 7.500 Å, c = 15.000 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 843.8 ų
- Atoms in the conventional cell
- 68 (C 38, Sc 30)
- Formula units Z
- 2
- Pearson symbol
- tP68 — tetragonal, primitive lattice, 68 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| C1 | C | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Sc7 | Sc | 2b | 2 | 0.0000 | 0.0000 | 0.5000 |
| C2 | C | 4c | 4 | 0.0000 | 0.0000 | 0.6650 |
| Sc8 | Sc | 4c | 4 | 0.0000 | 0.0000 | 0.8198 |
| C3 | C | 8e | 8 | 0.7120 | 0.1180 | 0.4920 |
| C4 | C | 8e | 8 | 0.3840 | 0.2000 | 0.6333 |
| C5 | C | 8e | 8 | 0.4360 | 0.2080 | 0.7120 |
| C6 | C | 8e | 8 | 0.8060 | 0.3750 | 0.6790 |
| Sc10 | Sc | 8e | 8 | 0.0982 | 0.2823 | 0.6593 |
| Sc11 | Sc | 8e | 8 | 0.7157 | 0.0982 | 0.6423 |
| Sc9 | Sc | 8e | 8 | 0.4021 | 0.1993 | 0.4800 |
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 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
A19B15_tP68_114_ac4e_bc3e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP68, then the space-group number 114, then the Wyckoff letters occupied by each element in turn (C: 2a; Sc: 2b; C: 4c; Sc: 4c; C: 8e; C: 8e; C: 8e; C: 8e; Sc: 8e; Sc: 8e; Sc: 8e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
C₁₉Er₁₅, C₁₉Lu₁₅, C₁₉Tm₁₅, C₁₉Y₁₅, C₁₉Yb₁₅ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A19B15_tP68_114_ac4e_bc3e-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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