Crystal Lab › Prototype structures › Triclinic
Co₃(SeO₃)₃cdotH₂O
Triclinic · space group P-1 (No. 2) · Pearson aP36
Symmetry elements and Wyckoff positions (interactive)
Co₃(SeO₃)₃cdotH₂O in P-1
SettingUnit cell
- Lattice constants
- a = 8.102 Å, b = 8.219 Å, c = 8.572 Å; α = 69.15°, β = 62.88°, γ = 67.23°
- Cell volume
- 457.1 ų
- Atoms in the conventional cell
- 36 (Co 6, H 4, O 20, Se 6)
- Formula units Z
- 2
- Pearson symbol
- aP36 — triclinic, primitive lattice, 36 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Co2 | Co | 1b | 1 | 0.0000 | 0.0000 | 0.5000 |
| Co1 | Co | 1e | 1 | 0.5000 | 0.5000 | 0.0000 |
| Co3 | Co | 2i | 2 | 0.1539 | 0.5373 | 0.7990 |
| Co4 | Co | 2i | 2 | 0.2166 | 0.3564 | 0.3901 |
| H5 | H | 2i | 2 | 0.5040 | 0.3670 | 0.7040 |
| H6 | H | 2i | 2 | 0.4350 | 0.3230 | 0.6240 |
| O10 | O | 2i | 2 | 0.0375 | 0.4447 | 0.6739 |
| O11 | O | 2i | 2 | 0.4496 | 0.2241 | 0.4515 |
| O12 | O | 2i | 2 | 0.2083 | 0.0180 | 0.2467 |
| O13 | O | 2i | 2 | 0.0988 | 0.3268 | 0.0273 |
| O14 | O | 2i | 2 | 0.3667 | 0.2852 | 0.1424 |
| O15 | O | 2i | 2 | 0.6894 | 0.3592 | 0.1263 |
| O16 | O | 2i | 2 | 0.4179 | 0.3725 | 0.6893 |
| O7 | O | 2i | 2 | 0.8023 | 0.2124 | 0.3858 |
| O8 | O | 2i | 2 | 0.0468 | 0.1953 | 0.5643 |
| O9 | O | 2i | 2 | 0.7128 | 0.3964 | 0.7589 |
| Se17 | Se | 2i | 2 | 0.0646 | 0.7337 | 0.2388 |
| Se18 | Se | 2i | 2 | 0.2966 | 0.1674 | 0.0649 |
| Se19 | Se | 2i | 2 | 0.6762 | 0.1697 | 0.2981 |
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 36 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
A3B2C10D3_aP36_2_be2i_2i_10i_3i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP36, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (Co: 1b; Co: 1e; Co: 2i; Co: 2i; H: 2i; H: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; Se: 2i; Se: 2i; Se: 2i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Mn₃(SeO₃)₃cdotH₂O, Ni₃(SeO₃)₃cdotH₂O <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2C10D3_aP36_2_be2i_2i_10i_3i-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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