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Crystal Lab › Prototype structures › Orthorhombic

SrZn₅

Orthorhombic · space group Pnma (No. 62) · Pearson oP24

Symmetry elements and Wyckoff positions (interactive)

SrZn₅ in Pnma

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

Unit cell

Lattice constants
a = 13.150 Å, b = 5.320 Å, c = 6.720 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
470.1 ų
Atoms in the conventional cell
24 (Sr 4, Zn 20)
Formula units Z
4
Pearson symbol
oP24 — orthorhombic, primitive lattice, 24 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Sr1Sr4c40.08800.25000.3560
Zn2Zn4c40.97900.25000.8990
Zn3Zn4c40.78500.25000.8400
Zn4Zn4c40.29800.25000.0450
Zn5Zn8d80.64400.50000.6500

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 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

AB5_oP24_62_c_3cd-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP24, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Sr: 4c; Zn: 4c; Zn: 4c; Zn: 4c; Zn: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB5_oP24_62_c_3cd-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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