Crystal Lab › Prototype structures › Orthorhombic
Zr₇Ni₁₀
Orthorhombic · space group Cmce (No. 64) · Pearson oC68
Symmetry elements and Wyckoff positions (interactive)
Zr₇Ni₁₀ in Cmce
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Zr4 | Zr | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Zr5 | Zr | 8d | 8 | 0.3063 | 0.0000 | 0.0000 |
| Zr6 | Zr | 8e | 8 | 0.2500 | 0.2547 | 0.2500 |
| Ni1 | Ni | 8f | 8 | 0.0000 | 0.1076 | 0.3942 |
| Zr7 | Zr | 8f | 8 | 0.0000 | 0.3122 | 0.1885 |
| Ni2 | Ni | 16g | 16 | 0.6444 | 0.5111 | 0.2082 |
| Ni3 | Ni | 16g | 16 | 0.8551 | 0.7916 | 0.0083 |
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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