Crystal Lab › Prototype structures › Orthorhombic
Ta₃B₄ (D7_{b})
Orthorhombic · space group Immm (No. 71) · Pearson oI14 · Strukturbericht D7b
Symmetry elements and Wyckoff positions (interactive)
Ta₃B₄ (D7_{b}) in Immm
SettingUnit cell
- Lattice constants
- a = 14.000 Å, b = 3.130 Å, c = 3.290 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 144.2 ų
- Atoms in the conventional cell
- 14 (Ta 6, B 8)
- Formula units Z
- 2
- Pearson symbol
- oI14 — orthorhombic, body-centred lattice, 14 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ta3 | Ta | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| B2 | B | 4e | 4 | 0.4440 | 0.0000 | 0.0000 |
| B1 | B | 4f | 4 | 0.3750 | 0.5000 | 0.0000 |
| Ta4 | Ta | 4f | 4 | 0.1800 | 0.5000 | 0.0000 |
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 14 atoms drawn above are these sites multiplied by all 16 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
A4B3_oI14_71_ef_af-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oI14, then the space-group number 71, then the Wyckoff letters occupied by each element in turn (Ta: 2a; B: 4e; B: 4f; Ta: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
B₄Cr₃, B₄Mn₃, B₄Mo₂Ni, B₄Nb₃, B₄Ta₃, B₄V₃, B₄CoMo₂, B₄FeMo₂ <!--beginning with an
Note: D7_{b}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B3_oI14_71_ef_af-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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