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Crystal Lab › Prototype structures › Tetragonal

RbGa₃

Tetragonal · space group I-4m2 (No. 119) · Pearson tI24

Symmetry elements and Wyckoff positions (interactive)

RbGa₃ in I-4m2

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

Unit cell

Lattice constants
a = 6.315 Å, b = 6.315 Å, c = 15.000 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
598.2 ų
Atoms in the conventional cell
24 (Ga 18, Rb 6)
Formula units Z
6
Pearson symbol
tI24 — tetragonal, body-centred lattice, 24 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ga1Ga2a20.00000.00000.0000
Rb4Rb2b20.00000.00000.5000
Rb5Rb4f40.00000.50000.8720
Ga2Ga8i80.20680.00000.7229
Ga3Ga8i80.30670.00000.8917

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 24 atoms drawn above are these sites multiplied by all 16 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

A3B_tI24_119_a2i_bf-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI24, then the space-group number 119, then the Wyckoff letters occupied by each element in turn (Ga: 2a; Rb: 2b; Rb: 4f; Ga: 8i; Ga: 8i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CsGa₃, KGa₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_tI24_119_a2i_bf-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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