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Crystal Lab › Prototype structures › Hexagonal

InNi₂ (B8₂)

Hexagonal · space group P63/mmc (No. 194) · Pearson hP6 · Strukturbericht B82

Symmetry elements and Wyckoff positions (interactive)

InNi₂ (B8₂) in P63/mmc

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

Unit cell

Lattice constants
a = 4.186 Å, b = 4.186 Å, c = 5.129 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
77.8 ų
Atoms in the conventional cell
6 (Ni 4, In 2)
Formula units Z
2
Pearson symbol
hP6 — hexagonal / trigonal, primitive lattice, 6 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ni2Ni2a20.00000.00000.0000
In1In2c20.33330.66670.2500
Ni3Ni2d20.33330.66670.7500

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 6 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

AB2_hP6_194_c_ad-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP6, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Ni: 2a; In: 2c; Ni: 2d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

AlCu_{1.5}, AlZr₂, BiIn₂, GaTi₂, SnTi₂, BeHfSi, BeSiZr, CoFeGe, CoNiGe, CoNiSn, FeGeMn, FeGeNi, GeMnNi <!--beginning with an

Note: B8₂.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2_hP6_194_c_ad-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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