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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| H1 | H | 4a | 4 | 0.5010 | 0.3600 | 0.8570 |
| H2 | H | 4a | 4 | 0.2800 | 0.7900 | 0.1700 |
| O3 | O | 4a | 4 | 0.1155 | 0.1256 | 0.0795 |
| O4 | O | 4a | 4 | 0.1670 | 0.3172 | 0.7198 |
| Zn5 | Zn | 4a | 4 | 0.0710 | 0.6483 | 0.6242 |
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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