Crystal Lab › Prototype structures › Tetragonal
Nd₃Ni₂₉Si₄B₁₀: A10B3C29D4_tP92_129_2cij_bd_c3i2jk_i-001 B₁₀Nd₃Ni₂₉Si₄
Tetragonal · space group P4/nmm (No. 129) · Pearson tP92
Symmetry elements and Wyckoff positions (interactive)
Nd₃Ni₂₉Si₄B₁₀: A10B3C29D4_tP92_129_2cij_bd_c3i2jk_i-001 in P4/nmm
SettingUnit cell
- Lattice constants
- a = 11.233 Å, b = 11.233 Å, c = 7.875 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 993.7 ų
- Atoms in the conventional cell
- 92 (Nd 6, B 20, Ni 58, Si 8)
- Formula units Z
- 2
- Pearson symbol
- tP92 — tetragonal, primitive lattice, 92 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Nd1 | Nd | 2b | 2 | 0.7500 | 0.2500 | 0.5000 |
| B2 | B | 2c | 2 | 0.2500 | 0.2500 | 0.8570 |
| B3 | B | 2c | 2 | 0.2500 | 0.2500 | 0.1021 |
| Ni4 | Ni | 2c | 2 | 0.2500 | 0.2500 | 0.4680 |
| Nd5 | Nd | 4d | 4 | 0.0000 | 0.0000 | 0.0000 |
| B6 | B | 8i | 8 | 0.2500 | 0.9938 | 0.7342 |
| Ni7 | Ni | 8i | 8 | 0.2500 | 0.6404 | 0.8871 |
| Ni8 | Ni | 8i | 8 | 0.2500 | 0.0207 | 0.4745 |
| Ni9 | Ni | 8i | 8 | 0.2500 | 0.0844 | 0.9741 |
| Si10 | Si | 8i | 8 | 0.2500 | 0.5652 | 0.1832 |
| B11 | B | 8j | 8 | 0.0626 | 0.0626 | 0.4831 |
| Ni12 | Ni | 8j | 8 | 0.1333 | 0.1333 | 0.2513 |
| Ni13 | Ni | 8j | 8 | 0.1391 | 0.1391 | 0.7023 |
| Ni14 | Ni | 16k | 16 | 0.0766 | 0.5909 | 0.3321 |
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 92 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
A10B3C29D4_tP92_129_2cij_bd_c3i2jk_i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP92, then the space-group number 129, then the Wyckoff letters occupied by each element in turn (Nd: 2b; B: 2c; B: 2c; Ni: 2c; Nd: 4d; B: 8i; Ni: 8i; Ni: 8i; Ni: 8i; Si: 8i; B: 8j; Ni: 8j; Ni: 8j; Ni: 16k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ce₃Ni₃₀B₂₀, La₃Ni₃₀B₂₀ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A10B3C29D4_tP92_129_2cij_bd_c3i2jk_i-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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