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Crystal Lab › Prototype structures › Tetragonal

Ni₃P (D0_{e})

Tetragonal · space group I-4 (No. 82) · Pearson tI32 · Strukturbericht D03

Symmetry elements and Wyckoff positions (interactive)

Ni₃P (D0_{e}) in I-4

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

Unit cell

Lattice constants
a = 8.954 Å, b = 8.954 Å, c = 4.439 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
355.9 ų
Atoms in the conventional cell
32 (Ni 24, P 8)
Formula units Z
8
Pearson symbol
tI32 — tetragonal, body-centred lattice, 32 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ni1Ni8g80.07750.61170.9891
Ni2Ni8g80.86490.03210.2265
Ni3Ni8g80.16890.72000.5024
P4P8g80.78620.04870.7307

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 32 atoms drawn above are these sites multiplied by all 8 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

A3B_tI32_82_3g_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI32, then the space-group number 82, then the Wyckoff letters occupied by each element in turn (Ni: 8g; Ni: 8g; Ni: 8g; P: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Cr₃P, Fe₃B, Fe₃P, Mn₃P, Mo₃P, Ti₃P, V₃P <!--beginning with an

Note: D0₃.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_tI32_82_3g_g-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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