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Crystal Lab › Prototype structures › Orthorhombic

CeRu₂B₂

Orthorhombic · space group F222 (No. 22) · Pearson oF40

Symmetry elements and Wyckoff positions (interactive)

CeRu₂B₂ in F222

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

Unit cell

Lattice constants
a = 9.057 Å, b = 10.026 Å, c = 6.486 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
589.0 ų
Atoms in the conventional cell
40 (Ce 8, B 16, Ru 16)
Formula units Z
8
Pearson symbol
oF40 — orthorhombic, face-centred lattice, 40 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ce3Ce4a40.00000.00000.0000
Ce4Ce4c40.25000.25000.2500
B1B8e80.68660.00000.0000
Ru5Ru8f80.00000.63730.0000
Ru6Ru8i80.25000.88560.2500
B2B8j80.57190.25000.2500

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

A2BC2_oF40_22_ej_ac_fi-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF40, then the space-group number 22, then the Wyckoff letters occupied by each element in turn (Ce: 4a; Ce: 4c; B: 8e; Ru: 8f; Ru: 8i; B: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CeOs₂B₂, GdOs₂B₂, GdRu₂B₂, LaOs₂B₂, LaRu₂B₂, NdOs₂B₂, NdRu₂B₂, PrOs₂B₂, PrRu₂B₂, SmOs₂B₂, SmRu₂B₂, ThOs₂B₂, ThRu₂B₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC2_oF40_22_ej_ac_fi-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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