Crystal Lab › Prototype structures › Orthorhombic
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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu3 | Cu | 4c | 4 | 0.2500 | 0.2500 | 0.0000 |
| Bi1 | Bi | 8d | 8 | 0.9578 | 0.7267 | 0.0050 |
| Ca2 | Ca | 8d | 8 | 0.7941 | 0.7500 | 0.5000 |
| Cu4 | Cu | 8d | 8 | 0.8392 | 0.7570 | 0.9860 |
| O5 | O | 8d | 8 | 0.9565 | 0.6720 | 0.5440 |
| O6 | O | 8d | 8 | 0.8985 | 0.7500 | 0.0000 |
| O7 | O | 8d | 8 | 0.8391 | 0.5000 | 0.7500 |
| O8 | O | 8d | 8 | 0.8307 | 0.0000 | 0.7500 |
| O9 | O | 8d | 8 | 0.7500 | 0.0000 | 0.7500 |
| Sr10 | Sr | 8d | 8 | 0.8846 | 0.7600 | 0.4840 |
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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