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Crystal Lab › Prototype structures › Tetragonal

Bi₂CdO₄

Tetragonal · space group I41/amd (No. 141) · Pearson tI112

Symmetry elements and Wyckoff positions (interactive)

Bi₂CdO₄ in I41/amd

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

Unit cell

Lattice constants
a = 14.495 Å, b = 14.495 Å, c = 9.317 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1957.6 ų
Atoms in the conventional cell
112 (Cd 16, Bi 32, O 64)
Formula units Z
16
Pearson symbol
tI112 — tetragonal, body-centred lattice, 112 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cd3Cd16f160.39000.00000.0000
Bi1Bi16g160.15750.40750.8750
O4O16g160.60790.85790.8750
Bi2Bi16h160.00000.11130.2225
O5O16h160.00000.97720.3017
O6O32i320.15260.02530.1252

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 112 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

A2BC4_tI112_141_gh_f_ghi-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI112, then the space-group number 141, then the Wyckoff letters occupied by each element in turn (Cd: 16f; Bi: 16g; O: 16g; Bi: 16h; O: 16h; O: 32i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Li₂WO₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC4_tI112_141_gh_f_ghi-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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