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Crystal Lab › Prototype structures › Hexagonal

Sr[S₂O₆][H₂O]₄ O₁₀S₂Sr

Hexagonal · space group P62 (No. 171) · Pearson hP39

Symmetry elements and Wyckoff positions (interactive)

Sr[S₂O₆][H₂O]₄ in P62

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

Unit cell

Lattice constants
a = 6.320 Å, b = 6.320 Å, c = 19.290 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
667.3 ų
Atoms in the conventional cell
39 (Sr 3, O 30, S 6)
Formula units Z
3
Pearson symbol
hP39 — hexagonal / trigonal, primitive lattice, 39 atoms per conventional cell
Symmetry operations
6 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Sr7Sr3a30.00000.00000.0000
O1O6c60.99600.25300.2363
O2O6c60.01500.24800.1103
O3O6c60.68100.19200.1673
O4O6c60.44800.18800.2953
O5O6c60.44900.25000.0480
S6S6c60.37300.06500.5047

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 39 atoms drawn above are these sites multiplied by all 6 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

A10B2C_hP39_171_5c_c_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP39, then the space-group number 171, then the Wyckoff letters occupied by each element in turn (Sr: 3a; O: 6c; O: 6c; O: 6c; O: 6c; O: 6c; S: 6c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ca[S₂O₆][H₂O]₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A10B2C_hP39_171_5c_c_a-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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