Crystal Lab › Prototype structures › Orthorhombic
BiErGeO₅
Orthorhombic · space group Pbca (No. 61) · Pearson oP64
Symmetry elements and Wyckoff positions (interactive)
BiErGeO₅ in Pbca
SettingUnit cell
- Lattice constants
- a = 5.314 Å, b = 15.176 Å, c = 10.999 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 887.0 ų
- Atoms in the conventional cell
- 64 (Bi 8, Er 8, Ge 8, O 40)
- Formula units Z
- 8
- Pearson symbol
- oP64 — orthorhombic, primitive lattice, 64 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Bi1 | Bi | 8c | 8 | 0.9470 | 0.2400 | 0.1520 |
| Er2 | Er | 8c | 8 | 0.0120 | 0.0520 | 0.3600 |
| Ge3 | Ge | 8c | 8 | 0.0020 | 0.4020 | 0.4060 |
| O4 | O | 8c | 8 | 0.0630 | 0.3020 | 0.3350 |
| O5 | O | 8c | 8 | 0.2930 | 0.4370 | 0.4470 |
| O6 | O | 8c | 8 | 0.3090 | 0.1280 | 0.4880 |
| O7 | O | 8c | 8 | 0.2650 | 0.1500 | 0.2370 |
| O8 | O | 8c | 8 | 0.3640 | 0.4860 | 0.1870 |
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 64 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
ABCD5_oP64_61_c_c_c_5c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP64, then the space-group number 61, then the Wyckoff letters occupied by each element in turn (Bi: 8c; Er: 8c; Ge: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
BiYGeO₅, BiYbGeO₅ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABCD5_oP64_61_c_c_c_5c-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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