Crystal Lab › Prototype structures › Monoclinic
Cs₁₁O₃
Monoclinic · space group P121/c1 (No. 14) · Pearson mP56
Symmetry elements and Wyckoff positions (interactive)
Cs₁₁O₃ in P121/c1
SettingUnit cell
- Lattice constants
- a = 17.610 Å, b = 9.218 Å, c = 24.047 Å; α = 90.00°, β = 100.14°, γ = 90.00°
- Cell volume
- 3842.6 ų
- Atoms in the conventional cell
- 56 (Cs 44, O 12)
- Formula units Z
- 4
- Pearson symbol
- mP56 — monoclinic, primitive lattice, 56 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cs10 | Cs | 4e | 4 | 0.8483 | 0.6716 | 0.8486 |
| Cs1 | Cs | 4e | 4 | 0.6204 | 0.7206 | 0.7562 |
| Cs11 | Cs | 4e | 4 | 0.7612 | 0.4198 | 0.3308 |
| Cs2 | Cs | 4e | 4 | 0.9080 | 0.9420 | 0.7166 |
| Cs3 | Cs | 4e | 4 | 0.7796 | 0.6157 | 0.6769 |
| Cs4 | Cs | 4e | 4 | 0.6970 | 0.9795 | 0.6592 |
| Cs5 | Cs | 4e | 4 | 0.5644 | 0.4309 | 0.6179 |
| Cs6 | Cs | 4e | 4 | 0.4746 | 0.8324 | 0.5987 |
| Cs7 | Cs | 4e | 4 | 0.9337 | 0.6974 | 0.5684 |
| Cs8 | Cs | 4e | 4 | 0.8383 | 0.1037 | 0.5462 |
| Cs9 | Cs | 4e | 4 | 0.6842 | 0.7371 | 0.5316 |
| O12 | O | 4e | 4 | 0.7766 | 0.8414 | 0.7646 |
| O13 | O | 4e | 4 | 0.8205 | 0.8554 | 0.6045 |
| O14 | O | 4e | 4 | 0.6165 | 0.7036 | 0.6346 |
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 56 atoms drawn above are these sites multiplied by all 4 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
A11B3_mP56_14_11e_3e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP56, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; O: 4e; O: 4e; O: 4e). 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 A11B3_mP56_14_11e_3e-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 P121/c1 (98 prototypes) · All prototypes · Mg₆Ir₂H₁₁: A13B2C6_mP168_14_26e_4e_12e-001 — H₁₁Ir₂Mg₆ →