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Crystal Lab › Prototype structures › Orthorhombic

Wülfingite (ε-Zn(OH)₂, C31)

Orthorhombic · space group P212121 (No. 19) · Pearson oP20 · Strukturbericht C31 · mineral: w"{u}lfingite

Symmetry elements and Wyckoff positions (interactive)

Wülfingite (ε-Zn(OH)₂, C31) in P212121

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

Unit cell

Lattice constants
a = 4.905 Å, b = 5.143 Å, c = 8.473 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
213.7 ų
Atoms in the conventional cell
20 (H 8, O 8, Zn 4)
Formula units Z
4
Pearson symbol
oP20 — orthorhombic, primitive lattice, 20 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
H1H4a40.50100.36000.8570
H2H4a40.28000.79000.1700
O3O4a40.11550.12560.0795
O4O4a40.16700.31720.7198
Zn5Zn4a40.07100.64830.6242

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 20 atoms drawn above are these sites multiplied by all 4 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

A2B2C_oP20_19_2a_2a_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP20, then the space-group number 19, then the Wyckoff letters occupied by each element in turn (H: 4a; H: 4a; O: 4a; O: 4a; Zn: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

β-Be(OH)₂ <!--beginning with an

Note: C31, W\"{u}lfingite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B2C_oP20_19_2a_2a_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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