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Crystal Lab › Prototype structures › Orthorhombic

E3₅ (K₂SnCl₄cdotH₂O)

Orthorhombic · space group Pnma (No. 62) · Pearson oP32 · Strukturbericht E35

Symmetry elements and Wyckoff positions (interactive)

E3₅ (K₂SnCl₄cdotH₂O) in Pnma

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

Unit cell

Lattice constants
a = 12.050 Å, b = 9.100 Å, c = 8.250 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
904.7 ų
Atoms in the conventional cell
32 (H 4, Sn 4, Cl 16, K 8)
Formula units Z
4
Pearson symbol
oP32 — orthorhombic, primitive lattice, 32 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
H4H4a40.00000.00000.0000
Sn7Sn4b40.00000.00000.5000
Cl1Cl4c40.95000.25000.7100
Cl2Cl4c40.05000.25000.2900
K5K4c40.20000.25000.8400
K6K4c40.82500.25000.1000
Cl3Cl8d80.25000.96000.6200

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 32 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

A4BC2D_oP32_62_2cd_a_2c_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP32, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (H: 4a; Sn: 4b; Cl: 4c; Cl: 4c; K: 4c; K: 4c; Cl: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: E3₅.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4BC2D_oP32_62_2cd_a_2c_b-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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