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247 Superconductor (Y₂Ba₄Cu₇O₁₅)

Orthorhombic · space group Cmmm (No. 65) · Pearson oC58

Symmetry elements and Wyckoff positions (interactive)

247 Superconductor (Y₂Ba₄Cu₇O₁₅) in Cmmm

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

Unit cell

Lattice constants
a = 50.299 Å, b = 3.835 Å, c = 3.873 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
746.9 ų
Atoms in the conventional cell
58 (O 32, Cu 14, Ba 8, Y 4)
Formula units Z
2
Pearson symbol
oC58 — orthorhombic, base-centred lattice, 58 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O7O2a20.00000.00000.0000
Cu3Cu2b20.50000.00000.0000
O8O2c20.50000.00000.5000
Cu4Cu4g40.72970.00000.0000
Cu5Cu4g40.64880.00000.0000
Cu6Cu4g40.58190.00000.0000
O10O4g40.69430.00000.0000
O11O4g40.14420.00000.0000
O12O4g40.08550.00000.0000
O13O4g40.53790.00000.0000
O9O4g40.23330.00000.0000
Ba1Ba4h40.04250.00000.5000
Ba2Ba4h40.18750.00000.5000
O14O4h40.64290.00000.5000
O15O4h40.58520.00000.5000
Y16Y4h40.11470.00000.5000

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 58 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

A4B7C16D2_oC58_65_2h_b3g_ac5g2h_h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC58, then the space-group number 65, then the Wyckoff letters occupied by each element in turn (O: 2a; Cu: 2b; O: 2c; Cu: 4g; Cu: 4g; Cu: 4g; O: 4g; O: 4g; O: 4g; O: 4g; O: 4g; Ba: 4h; Ba: 4h; O: 4h; O: 4h; Y: 4h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Pr₂Ba₄Cu₇O₁₅ <!--beginning with an

Note: ``247 Superconductor''.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B7C16D2_oC58_65_2h_b3g_ac5g2h_h-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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