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Crystal Lab › Prototype structures › Orthorhombic

Zr₇Ni₁₀

Orthorhombic · space group Cmce (No. 64) · Pearson oC68

Symmetry elements and Wyckoff positions (interactive)

Zr₇Ni₁₀ in Cmce

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

Unit cell

Lattice constants
a = 12.381 Å, b = 9.185 Å, c = 9.221 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1048.6 ų
Atoms in the conventional cell
68 (Zr 28, Ni 40)
Formula units Z
4
Pearson symbol
oC68 — orthorhombic, base-centred lattice, 68 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Zr4Zr4a40.00000.00000.0000
Zr5Zr8d80.30630.00000.0000
Zr6Zr8e80.25000.25470.2500
Ni1Ni8f80.00000.10760.3942
Zr7Zr8f80.00000.31220.1885
Ni2Ni16g160.64440.51110.2082
Ni3Ni16g160.85510.79160.0083

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 68 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

A10B7_oC68_64_f2g_adef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC68, then the space-group number 64, then the Wyckoff letters occupied by each element in turn (Zr: 4a; Zr: 8d; Zr: 8e; Ni: 8f; Zr: 8f; Ni: 16g; Ni: 16g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Hf₇Ni₁₀ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A10B7_oC68_64_f2g_adef-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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