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Bi₂Sr₂Ca₂Cu₃O_{10+x} (Bi-2223)

Orthorhombic · space group Ccc2 (No. 37) · Pearson oC76

Symmetry elements and Wyckoff positions (interactive)

Bi₂Sr₂Ca₂Cu₃O_{10+x} (Bi-2223) in Ccc2

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

Unit cell

Lattice constants
a = 37.082 Å, b = 5.409 Å, c = 5.411 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1085.3 ų
Atoms in the conventional cell
76 (Cu 12, Bi 8, Ca 8, O 40, Sr 8)
Formula units Z
4
Pearson symbol
oC76 — orthorhombic, base-centred lattice, 76 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cu3Cu4c40.25000.25000.0000
Bi1Bi8d80.95780.72670.0050
Ca2Ca8d80.79410.75000.5000
Cu4Cu8d80.83920.75700.9860
O5O8d80.95650.67200.5440
O6O8d80.89850.75000.0000
O7O8d80.83910.50000.7500
O8O8d80.83070.00000.7500
O9O8d80.75000.00000.7500
Sr10Sr8d80.88460.76000.4840

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 76 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

A2B2C3D10E2_oC76_37_d_d_cd_5d_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC76, then the space-group number 37, then the Wyckoff letters occupied by each element in turn (Cu: 4c; Bi: 8d; Ca: 8d; Cu: 8d; O: 8d; O: 8d; O: 8d; O: 8d; O: 8d; Sr: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Bi-2223.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B2C3D10E2_oC76_37_d_d_cd_5d_d-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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