Crystal Lab › Prototype structures › Triclinic
Na₂Mn₃O₇ Maple Leaf Mn₃Na₂O₇
Triclinic · space group P-1 (No. 2) · Pearson aP24
Symmetry elements and Wyckoff positions (interactive)
Na₂Mn₃O₇ Maple Leaf in P-1
SettingUnit cell
- Lattice constants
- a = 6.619 Å, b = 6.840 Å, c = 7.528 Å; α = 105.77°, β = 106.84°, γ = 111.63°
- Cell volume
- 274.4 ų
- Atoms in the conventional cell
- 24 (Mn 6, Na 4, O 14)
- Formula units Z
- 2
- Pearson symbol
- aP24 — triclinic, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn1 | Mn | 2i | 2 | 0.0568 | 0.0922 | 0.2316 |
| Mn2 | Mn | 2i | 2 | 0.3223 | 0.3582 | 0.0731 |
| Mn3 | Mn | 2i | 2 | 0.1995 | 0.2169 | 0.6455 |
| Na4 | Na | 2i | 2 | 0.2520 | 0.6909 | 0.4912 |
| Na5 | Na | 2i | 2 | 0.3351 | 0.8264 | 0.0695 |
| O6 | O | 2i | 2 | 0.4060 | 0.2185 | 0.2695 |
| O7 | O | 2i | 2 | 0.7276 | 0.9440 | 0.1729 |
| O8 | O | 2i | 2 | 0.0380 | 0.1972 | 0.0273 |
| O9 | O | 2i | 2 | 0.1467 | 0.3526 | 0.4564 |
| O10 | O | 2i | 2 | 0.6829 | 0.5294 | 0.1275 |
| O11 | O | 2i | 2 | 0.1080 | 0.9483 | 0.4054 |
| O12 | O | 2i | 2 | 0.4422 | 0.6271 | 0.3031 |
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 24 atoms drawn above are these sites multiplied by all 2 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
A3B2C7_aP24_2_3i_2i_7i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP24, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (Mn: 2i; Mn: 2i; Mn: 2i; Na: 2i; Na: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i). 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 A3B2C7_aP24_2_3i_2i_7i-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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