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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
B1B2i20.67000.67000.3400
B2B2i20.36000.88000.1700
Co3Co2i20.74300.21300.3600
Co4Co2i20.24500.37400.1000
O5O2i20.24400.70900.0540
O6O2i20.20800.09200.1900
O7O2i20.73500.47600.2490
O8O2i20.56200.84200.2880
O9O2i20.77000.69800.4890

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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