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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
O3O4d40.00000.50000.2500
Bi1Bi4e40.00000.00000.1740
V6V8h80.53000.53000.0000
Bi2Bi16m160.05500.05500.1629
O4O16n160.00000.13400.4068
O5O16n160.00000.41300.0335

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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