Crystal Lab › Prototype structures › Orthorhombic
Al₃Mn
Orthorhombic · space group Pnma (No. 62) · Pearson oP156
Symmetry elements and Wyckoff positions (interactive)
Al₃Mn in Pnma
SettingUnit cell
- Lattice constants
- a = 14.830 Å, b = 12.430 Å, c = 12.510 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 2306.1 ų
- Atoms in the conventional cell
- 156 (Al 108, Mn 48)
- Formula units Z
- 12
- Pearson symbol
- oP156 — orthorhombic, primitive lattice, 156 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 4c | 4 | 0.0937 | 0.2500 | 0.6607 |
| Al2 | Al | 4c | 4 | 0.9000 | 0.2500 | 0.9601 |
| Al3 | Al | 4c | 4 | 0.1042 | 0.2500 | 0.0403 |
| Al4 | Al | 4c | 4 | 0.4031 | 0.2500 | 0.1493 |
| Al5 | Al | 4c | 4 | 0.3196 | 0.2500 | 0.8441 |
| Mn17 | Mn | 4c | 4 | 0.0420 | 0.2500 | 0.8538 |
| Mn18 | Mn | 4c | 4 | 0.2333 | 0.2500 | 0.1783 |
| Mn19 | Mn | 4c | 4 | 0.0535 | 0.2500 | 0.4543 |
| Mn20 | Mn | 4c | 4 | 0.2261 | 0.2500 | 0.5217 |
| Mn21 | Mn | 4c | 4 | 0.0565 | 0.2500 | 0.2429 |
| Mn22 | Mn | 4c | 4 | 0.8331 | 0.2500 | 0.1530 |
| Al10 | Al | 8d | 8 | 0.1812 | 0.3525 | 0.3489 |
| Al11 | Al | 8d | 8 | 0.7742 | 0.3785 | 0.8381 |
| Al12 | Al | 8d | 8 | 0.9489 | 0.3736 | 0.5417 |
| Al13 | Al | 8d | 8 | 0.7643 | 0.3763 | 0.4743 |
| Al14 | Al | 8d | 8 | 0.9509 | 0.3783 | 0.7620 |
| Al15 | Al | 8d | 8 | 0.1623 | 0.3764 | 0.8365 |
| Al16 | Al | 8d | 8 | 0.9586 | 0.3882 | 0.1490 |
| Al6 | Al | 8d | 8 | 0.0158 | 0.4357 | 0.3498 |
| Al7 | Al | 8d | 8 | 0.8094 | 0.4338 | 0.2701 |
| Al8 | Al | 8d | 8 | 0.1296 | 0.4351 | 0.5351 |
| Al9 | Al | 8d | 8 | 0.5203 | 0.4217 | 0.5495 |
| Mn23 | Mn | 8d | 8 | 0.8210 | 0.4429 | 0.6519 |
| Mn24 | Mn | 8d | 8 | 0.8169 | 0.4393 | 0.0379 |
| Mn25 | Mn | 8d | 8 | 0.1268 | 0.4383 | 0.1580 |
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 156 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
A9B4_oP156_62_5c11d_6c3d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP156, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Al: 4c; Al: 4c; Al: 4c; Al: 4c; Al: 4c; Mn: 4c; Mn: 4c; Mn: 4c; Mn: 4c; Mn: 4c; Mn: 4c; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Al: 8d; Mn: 8d; Mn: 8d; Mn: 8d). 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 A9B4_oP156_62_5c11d_6c3d-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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