Crystal Lab › Prototype structures › Tetragonal
Cd₃As₂
Tetragonal · space group I41/acd (No. 142) · Pearson tI160
Symmetry elements and Wyckoff positions (interactive)
Cd₃As₂ in I41/acd
SettingUnit cell
- Lattice constants
- a = 12.633 Å, b = 12.633 Å, c = 25.427 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 4058.0 ų
- Atoms in the conventional cell
- 160 (As 64, Cd 96)
- Formula units Z
- 32
- Pearson symbol
- tI160 — tetragonal, body-centred lattice, 160 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| As1 | As | 16d | 16 | 0.0000 | 0.2500 | 0.9993 |
| As2 | As | 16e | 16 | 0.7392 | 0.0000 | 0.2500 |
| As3 | As | 32g | 32 | 0.2460 | 0.2579 | 0.1231 |
| Cd4 | Cd | 32g | 32 | 0.1395 | 0.3696 | 0.0525 |
| Cd5 | Cd | 32g | 32 | 0.1117 | 0.6422 | 0.0725 |
| Cd6 | Cd | 32g | 32 | 0.1188 | 0.1061 | 0.0625 |
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 160 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
A2B3_tI160_142_deg_3g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI160, then the space-group number 142, then the Wyckoff letters occupied by each element in turn (As: 16d; As: 16e; As: 32g; Cd: 32g; Cd: 32g; Cd: 32g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Zn₃As₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_tI160_142_deg_3g-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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