Crystal Lab › Prototype structures › Hexagonal
Sr₈Os_{6.3}O₂₄ O₂₄Os_{6.3}Sr₈
Hexagonal · space group P63cm (No. 185) · Pearson hP118
Symmetry elements and Wyckoff positions (interactive)
Sr₈Os_{6.3}O₂₄ in P63cm
SettingUnit cell
- Lattice constants
- a = 9.699 Å, b = 9.699 Å, c = 18.166 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 1479.9 ų
- Atoms in the conventional cell
- 118 (Os 22, Sr 24, O 72)
- Formula units Z
- 2
- Pearson symbol
- hP118 — hexagonal / trigonal, primitive lattice, 118 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Os9 | Os | 2a | 2 | 0.0000 | 0.0000 | 0.1921 |
| Sr14 | Sr | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Os10 | Os | 4b | 4 | 0.3333 | 0.6667 | 0.3264 |
| Os11 | Os | 4b | 4 | 0.3333 | 0.6667 | 0.1925 |
| Sr15 | Sr | 4b | 4 | 0.3333 | 0.6667 | 0.0255 |
| O1 | O | 6c | 6 | 0.1640 | 0.0000 | 0.2460 |
| O2 | O | 6c | 6 | 0.1500 | 0.0000 | 0.6199 |
| O3 | O | 6c | 6 | 0.4880 | 0.0000 | 0.5131 |
| O4 | O | 6c | 6 | 0.1890 | 0.0000 | 0.8840 |
| Os12 | Os | 6c | 6 | 0.3262 | 0.0000 | 0.5703 |
| Os13 | Os | 6c | 6 | 0.3405 | 0.0000 | 0.9487 |
| Sr16 | Sr | 6c | 6 | 0.3050 | 0.0000 | 0.3702 |
| Sr17 | Sr | 6c | 6 | 0.3535 | 0.0000 | 0.1506 |
| Sr18 | Sr | 6c | 6 | 0.3375 | 0.0000 | 0.7601 |
| O5 | O | 12d | 12 | 0.8230 | 0.3210 | 0.2697 |
| O6 | O | 12d | 12 | 0.3700 | 0.5120 | 0.3904 |
| O7 | O | 12d | 12 | 0.1490 | 0.6680 | 0.1324 |
| O8 | O | 12d | 12 | 0.3390 | 0.1580 | 0.5000 |
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 118 atoms drawn above are these sites multiplied by all 12 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
A36B11C12_hP118_185_4c4d_a2b2c_ab3c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP118, then the space-group number 185, then the Wyckoff letters occupied by each element in turn (Os: 2a; Sr: 2a; Os: 4b; Os: 4b; Sr: 4b; O: 6c; O: 6c; O: 6c; O: 6c; Os: 6c; Os: 6c; Sr: 6c; Sr: 6c; Sr: 6c; O: 12d; O: 12d; O: 12d; O: 12d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A36B11C12_hP118_185_4c4d_a2b2c_ab3c-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.
· Space group P63cm (7 prototypes) · All prototypes · KNiCl₃ →