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Crystal Lab › Prototype structures › Tetragonal

TlCo₂S₂

Tetragonal · space group I4/mmm (No. 139) · Pearson tI10

Symmetry elements and Wyckoff positions (interactive)

TlCo₂S₂ in I4/mmm

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

Unit cell

Lattice constants
a = 3.741 Å, b = 3.741 Å, c = 12.956 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
181.3 ų
Atoms in the conventional cell
10 (Tl 2, Co 4, S 4)
Formula units Z
2
Pearson symbol
tI10 — tetragonal, body-centred lattice, 10 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Tl3Tl2a20.00000.00000.0000
Co1Co4d40.00000.50000.2500
S2S4e40.00000.00000.3474

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 10 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

A2B2C_tI10_139_d_e_a-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI10, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Tl: 2a; Co: 4d; S: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BaCr₂As₂, BaFe₂As₂, BaMn₂Bi₂, BaP₂Zn₂, BaSr₂As₂, BaCo₂As₂, BiCe₂O₂, BiTh₂N₂, BiU₂N₂, CaCo₂As₂, SrCo₂As₂, EuCo₂As₂, EuFe4₂As₂, CsCo₂Se₂, KCo₂As₂, KCo₂P₂, KCo₂Se₂, KFe₂As₂, KFe₂P₂, KRh₂As₂, KRh₂P₂, RbCo₂Se₂, RbFe₂As₂, RbNi₂Se₂, SbTh₂N₂, SbU₂N₂, SeBi₂O₂, SeBi₂O₂, TeBi₂O₂, TeCe₂O₂, TeDy₂O₂, TeEr₂O₂, TeLu₂O₂, TeTb₂O₂, TeY₂O₂, TeTh₂N₂, TeU₂N₂, TlCo₂Se₂, TlCu₂S₂, TlCu₂Se₂, TlCu₂Te₂, TlFe₂S₂, TlFe₂Se₂, TlNi₂S₂, TlNi₂Se₂, Cl(Li_{0.25}Be_{0.75})₂O₂, Cl(Na_{0.25}Be_{0.75})₂O₂, EuFe₂(As_{0.8}P_{0.2})₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B2C_tI10_139_d_e_a-002 (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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