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Crystal Lab › Prototype structures › Orthorhombic

Sc₂S₃

Orthorhombic · space group Fddd (No. 70) · Pearson oF80

Symmetry elements and Wyckoff positions (interactive)

Sc₂S₃ in Fddd

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

Unit cell

Lattice constants
a = 22.050 Å, b = 7.380 Å, c = 10.410 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1694.0 ų
Atoms in the conventional cell
80 (Sc 32, S 48)
Formula units Z
16
Pearson symbol
oF80 — orthorhombic, face-centred lattice, 80 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Sc3Sc16e160.04080.12500.1250
Sc4Sc16e160.37610.12500.1250
S1S16f160.12500.36970.1250
S2S32h320.04390.12170.8769

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 80 atoms drawn above are these sites multiplied by all 32 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

A3B2_oF80_70_fh_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF80, then the space-group number 70, then the Wyckoff letters occupied by each element in turn (Sc: 16e; Sc: 16e; S: 16f; S: 32h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Dy₂Se₃, Dy₂Te₃, Eu₂Se₃, Eu₂Te₃, Lu₂Se₃, Sc₂Se₃, Y₂Se₃, Y₂Te₃, Yb₂Se₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2_oF80_70_fh_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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