Crystal Lab › Prototype structures › Orthorhombic
Mn₂B (D1_{f})
Orthorhombic · space group Fddd (No. 70) · Pearson oF48 · Strukturbericht D1f
Symmetry elements and Wyckoff positions (interactive)
Mn₂B (D1_{f}) in Fddd
SettingUnit cell
- Lattice constants
- a = 7.291 Å, b = 14.540 Å, c = 4.208 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 446.1 ų
- Atoms in the conventional cell
- 48 (B 16, Mn 32)
- Formula units Z
- 16
- Pearson symbol
- oF48 — orthorhombic, face-centred lattice, 48 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 16e | 16 | 0.0005 | 0.1250 | 0.1250 |
| Mn2 | Mn | 16e | 16 | 0.7066 | 0.1250 | 0.1250 |
| Mn3 | Mn | 16f | 16 | 0.1250 | 0.2944 | 0.1250 |
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 48 atoms drawn above are these sites multiplied by all 32 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
AB2_oF48_70_e_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF48, then the space-group number 70, then the Wyckoff letters occupied by each element in turn (B: 16e; Mn: 16e; Mn: 16f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cr₂B <!--beginning with an
Note: D1_{f}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2_oF48_70_e_ef-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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