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Crystal Lab › Prototype structures › Hexagonal

Ti₅Ga₄

Hexagonal · space group P63/mcm (No. 193) · Pearson hP18

Symmetry elements and Wyckoff positions (interactive)

Ti₅Ga₄ in P63/mcm

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

Unit cell

Lattice constants
a = 7.861 Å, b = 7.861 Å, c = 5.452 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
291.8 ų
Atoms in the conventional cell
18 (Ga 8, Ti 10)
Formula units Z
2
Pearson symbol
hP18 — hexagonal / trigonal, primitive lattice, 18 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ga1Ga2b20.00000.00000.0000
Ti3Ti4d40.33330.66670.0000
Ga2Ga6g60.62000.00000.2500
Ti4Ti6g60.29000.00000.2500

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 18 atoms drawn above are these sites multiplied by all 24 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

A4B5_hP18_193_bg_dg-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP18, then the space-group number 193, then the Wyckoff letters occupied by each element in turn (Ga: 2b; Ti: 4d; Ga: 6g; Ti: 6g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Hf₅Sn₄, Nb₅Ga₄, Np₅Ge₄, Pu₅Pb₄, Th₅Pb₄, Th₅Sn₄, U₅Ge₄, Zr₅Al₄, Zr₅Ga₄, Zr₅Pb₄, Zr₅Sb₄, Zr₅Sn₄, DyGeSc, DyScSi, ErScGe, ErScSi, HoScGe, HoScSi, IrNbO, ScSiTb, TmScGe, TmScSi <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B5_hP18_193_bg_dg-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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