Crystal Lab › Prototype structures › Triclinic
Co₂B₂O₅
Triclinic · space group P-1 (No. 2) · Pearson aP18
Symmetry elements and Wyckoff positions (interactive)
Co₂B₂O₅ in P-1
SettingUnit cell
- Lattice constants
- a = 3.160 Å, b = 5.940 Å, c = 8.950 Å; α = 103.90°, β = 91.00°, γ = 92.00°
- Cell volume
- 162.9 ų
- Atoms in the conventional cell
- 18 (B 4, Co 4, O 10)
- Formula units Z
- 2
- Pearson symbol
- aP18 — triclinic, primitive lattice, 18 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 2i | 2 | 0.6700 | 0.6700 | 0.3400 |
| B2 | B | 2i | 2 | 0.3600 | 0.8800 | 0.1700 |
| Co3 | Co | 2i | 2 | 0.7430 | 0.2130 | 0.3600 |
| Co4 | Co | 2i | 2 | 0.2450 | 0.3740 | 0.1000 |
| O5 | O | 2i | 2 | 0.2440 | 0.7090 | 0.0540 |
| O6 | O | 2i | 2 | 0.2080 | 0.0920 | 0.1900 |
| O7 | O | 2i | 2 | 0.7350 | 0.4760 | 0.2490 |
| O8 | O | 2i | 2 | 0.5620 | 0.8420 | 0.2880 |
| O9 | O | 2i | 2 | 0.7700 | 0.6980 | 0.4890 |
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 18 atoms drawn above are these sites multiplied by all 2 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
A2B2C5_aP18_2_2i_2i_5i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP18, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (B: 2i; B: 2i; Co: 2i; Co: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B2C5_aP18_2_2i_2i_5i-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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