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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Nd1Nd2b20.75000.25000.5000
B2B2c20.25000.25000.8570
B3B2c20.25000.25000.1021
Ni4Ni2c20.25000.25000.4680
Nd5Nd4d40.00000.00000.0000
B6B8i80.25000.99380.7342
Ni7Ni8i80.25000.64040.8871
Ni8Ni8i80.25000.02070.4745
Ni9Ni8i80.25000.08440.9741
Si10Si8i80.25000.56520.1832
B11B8j80.06260.06260.4831
Ni12Ni8j80.13330.13330.2513
Ni13Ni8j80.13910.13910.7023
Ni14Ni16k160.07660.59090.3321

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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