Crystal Lab › Prototype structures › Tetragonal
γ-Bi₄V₂O₁₁ Bi₄O₁₁V₂
Tetragonal · space group I4/mmm (No. 139) · Pearson tI64
Symmetry elements and Wyckoff positions (interactive)
γ-Bi₄V₂O₁₁ in I4/mmm
SettingUnit cell
- Lattice constants
- a = 3.992 Å, b = 3.992 Å, c = 15.431 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 245.9 ų
- Atoms in the conventional cell
- 64 (O 36, Bi 20, V 8)
- Formula units Z
- 4
- Pearson symbol
- tI64 — tetragonal, body-centred lattice, 64 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O3 | O | 4d | 4 | 0.0000 | 0.5000 | 0.2500 |
| Bi1 | Bi | 4e | 4 | 0.0000 | 0.0000 | 0.1740 |
| V6 | V | 8h | 8 | 0.5300 | 0.5300 | 0.0000 |
| Bi2 | Bi | 16m | 16 | 0.0550 | 0.0550 | 0.1629 |
| O4 | O | 16n | 16 | 0.0000 | 0.1340 | 0.4068 |
| O5 | O | 16n | 16 | 0.0000 | 0.4130 | 0.0335 |
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 64 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
A5B9C2_tI64_139_em_d2n_h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI64, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (O: 4d; Bi: 4e; V: 8h; Bi: 16m; O: 16n; O: 16n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Bi₂WO₆ <!--beginning with an
Note: \gamma-Bi₄V₂O₁₁.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B9C2_tI64_139_em_d2n_h-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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