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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cd3 | Cd | 16f | 16 | 0.3900 | 0.0000 | 0.0000 |
| Bi1 | Bi | 16g | 16 | 0.1575 | 0.4075 | 0.8750 |
| O4 | O | 16g | 16 | 0.6079 | 0.8579 | 0.8750 |
| Bi2 | Bi | 16h | 16 | 0.0000 | 0.1113 | 0.2225 |
| O5 | O | 16h | 16 | 0.0000 | 0.9772 | 0.3017 |
| O6 | O | 32i | 32 | 0.1526 | 0.0253 | 0.1252 |
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.
← Li₂WO₄ (II) · Space group I41/amd (21 prototypes) · All prototypes · CuCr₂O₄ →