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Crystal Lab › Prototype structures › Orthorhombic

K₂S₃O₆ (K5₁)

Orthorhombic · space group Pnma (No. 62) · Pearson oP44 · Strukturbericht K51

Symmetry elements and Wyckoff positions (interactive)

K₂S₃O₆ (K5₁) in Pnma

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

Unit cell

Lattice constants
a = 9.794 Å, b = 5.742 Å, c = 13.690 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
769.9 ų
Atoms in the conventional cell
44 (K 8, O 24, S 12)
Formula units Z
4
Pearson symbol
oP44 — orthorhombic, primitive lattice, 44 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
K1K4c40.13240.25000.4084
K2K4c40.17920.25000.7360
O3O4c40.88370.25000.1626
O4O4c40.32290.25000.9241
S7S4c40.02980.25000.1757
S8S4c40.09070.25000.0289
S9S4c40.30150.25000.0293
O5O8d80.91930.54110.7790
O6O8d80.64920.54100.9240

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 44 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

A2B6C3_oP44_62_2c_2c2d_3c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP44, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (K: 4c; K: 4c; O: 4c; O: 4c; S: 4c; S: 4c; S: 4c; O: 8d; O: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Rb₂S₃O₆ <!--beginning with an

Note: K5₁.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6C3_oP44_62_2c_2c2d_3c-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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