Crystal Lab › Prototype structures › Orthorhombic
247 Superconductor (Y₂Ba₄Cu₇O₁₅)
Orthorhombic · space group Cmmm (No. 65) · Pearson oC58
Symmetry elements and Wyckoff positions (interactive)
247 Superconductor (Y₂Ba₄Cu₇O₁₅) in Cmmm
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O7 | O | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Cu3 | Cu | 2b | 2 | 0.5000 | 0.0000 | 0.0000 |
| O8 | O | 2c | 2 | 0.5000 | 0.0000 | 0.5000 |
| Cu4 | Cu | 4g | 4 | 0.7297 | 0.0000 | 0.0000 |
| Cu5 | Cu | 4g | 4 | 0.6488 | 0.0000 | 0.0000 |
| Cu6 | Cu | 4g | 4 | 0.5819 | 0.0000 | 0.0000 |
| O10 | O | 4g | 4 | 0.6943 | 0.0000 | 0.0000 |
| O11 | O | 4g | 4 | 0.1442 | 0.0000 | 0.0000 |
| O12 | O | 4g | 4 | 0.0855 | 0.0000 | 0.0000 |
| O13 | O | 4g | 4 | 0.5379 | 0.0000 | 0.0000 |
| O9 | O | 4g | 4 | 0.2333 | 0.0000 | 0.0000 |
| Ba1 | Ba | 4h | 4 | 0.0425 | 0.0000 | 0.5000 |
| Ba2 | Ba | 4h | 4 | 0.1875 | 0.0000 | 0.5000 |
| O14 | O | 4h | 4 | 0.6429 | 0.0000 | 0.5000 |
| O15 | O | 4h | 4 | 0.5852 | 0.0000 | 0.5000 |
| Y16 | Y | 4h | 4 | 0.1147 | 0.0000 | 0.5000 |
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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