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Crystal Lab › Prototype structures › Monoclinic

Monoclinic (black) ZnP₂

Monoclinic · space group P121/c1 (No. 14) · Pearson mP24

Symmetry elements and Wyckoff positions (interactive)

Monoclinic (black) ZnP₂ in P121/c1

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

Unit cell

Lattice constants
a = 12.821 Å, b = 7.291 Å, c = 7.561 Å; α = 90.00°, β = 137.49°, γ = 90.00°
Cell volume
477.6 ų
Atoms in the conventional cell
24 (P 16, Zn 8)
Formula units Z
8
Pearson symbol
mP24 — monoclinic, primitive lattice, 24 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
P1P4e40.62550.42720.4095
P2P4e40.76500.01970.3242
P3P4e40.75720.48480.3294
P4P4e40.92130.25650.5256
Zn5Zn4e40.91950.74700.5255
Zn6Zn4e40.60690.09650.3820

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 24 atoms drawn above are these sites multiplied by all 4 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

A2B_mP24_14_4e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP24, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (P: 4e; P: 4e; P: 4e; P: 4e; Zn: 4e; Zn: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

ZnAs₂ <!--beginning with an

Note: Monoclinic (black) ZnP₂.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_mP24_14_4e_2e-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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