Skip to content

Crystal Lab › Prototype structures › Tetragonal

Zn₃P₂ (D5₉)

Tetragonal · space group P42/nmc (No. 137) · Pearson tP40 · Strukturbericht D59

Symmetry elements and Wyckoff positions (interactive)

Zn₃P₂ (D5₉) in P42/nmc

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

Unit cell

Lattice constants
a = 8.097 Å, b = 8.097 Å, c = 11.450 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
750.7 ų
Atoms in the conventional cell
40 (P 16, Zn 24)
Formula units Z
8
Pearson symbol
tP40 — tetragonal, primitive lattice, 40 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
P1P4c40.75000.25000.0000
P2P4d40.25000.25000.0110
P3P8f80.51100.48900.2500
Zn4Zn8g80.25000.53300.1470
Zn5Zn8g80.25000.46700.8640
Zn6Zn8g80.25000.50000.6030

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 40 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

A2B3_tP40_137_cdf_3g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP40, then the space-group number 137, then the Wyckoff letters occupied by each element in turn (P: 4c; P: 4d; P: 8f; Zn: 8g; Zn: 8g; Zn: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

α-As₂Cd₃, α-As₂Zn₃, Cd₃P₂ <!--beginning with an

Note: D5₉.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_tP40_137_cdf_3g-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.

 ·  Space group P42/nmc (7 prototypes)  ·  All prototypes  ·  ZrO₂ (High-temperature) →