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Base-centered Orthorhombic Sr₄Ru₃O₁₀ O₁₀Ru₃Sr₄

Orthorhombic · space group Cmce (No. 64) · Pearson oC68

Symmetry elements and Wyckoff positions (interactive)

Base-centered Orthorhombic Sr₄Ru₃O₁₀ in Cmce

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

Unit cell

Lattice constants
a = 28.573 Å, b = 3.900 Å, c = 3.900 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
434.6 ų
Atoms in the conventional cell
68 (Ru 12, O 40, Sr 16)
Formula units Z
4
Pearson symbol
oC68 — orthorhombic, base-centred lattice, 68 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ru5Ru4a40.00000.00000.0000
O1O8d80.06950.00000.0000
O2O8d80.21300.00000.0000
Ru6Ru8d80.14020.00000.0000
Sr7Sr8d80.29610.00000.0000
Sr8Sr8d80.43010.00000.0000
O3O8f80.00000.29710.7972
O4O16g160.63920.72710.7279

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 68 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

A10B3C4_oC68_64_2dfg_ad_2d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC68, then the space-group number 64, then the Wyckoff letters occupied by each element in turn (Ru: 4a; O: 8d; O: 8d; Ru: 8d; Sr: 8d; Sr: 8d; O: 8f; O: 16g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: BCO.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A10B3C4_oC68_64_2dfg_ad_2d-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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