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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Co2Co1b10.00000.00000.5000
Co1Co1e10.50000.50000.0000
Co3Co2i20.15390.53730.7990
Co4Co2i20.21660.35640.3901
H5H2i20.50400.36700.7040
H6H2i20.43500.32300.6240
O10O2i20.03750.44470.6739
O11O2i20.44960.22410.4515
O12O2i20.20830.01800.2467
O13O2i20.09880.32680.0273
O14O2i20.36670.28520.1424
O15O2i20.68940.35920.1263
O16O2i20.41790.37250.6893
O7O2i20.80230.21240.3858
O8O2i20.04680.19530.5643
O9O2i20.71280.39640.7589
Se17Se2i20.06460.73370.2388
Se18Se2i20.29660.16740.0649
Se19Se2i20.67620.16970.2981

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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