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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
As1As16d160.00000.25000.9993
As2As16e160.73920.00000.2500
As3As32g320.24600.25790.1231
Cd4Cd32g320.13950.36960.0525
Cd5Cd32g320.11170.64220.0725
Cd6Cd32g320.11880.10610.0625

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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