Crystal Lab › Prototype structures › Orthorhombic
Zn(NH₃)₂Cl₂ (E1₂)
Orthorhombic · space group Imma (No. 74) · Pearson oI44 · Strukturbericht E12
Symmetry elements and Wyckoff positions (interactive)
Zn(NH₃)₂Cl₂ (E1₂) in Imma
SettingUnit cell
- Lattice constants
- a = 8.023 Å, b = 7.708 Å, c = 8.453 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 522.7 ų
- Atoms in the conventional cell
- 44 (Zn 4, H 24, N 8, Cl 8)
- Formula units Z
- 4
- Pearson symbol
- oI44 — orthorhombic, body-centred lattice, 44 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Zn5 | Zn | 4e | 4 | 0.0000 | 0.2500 | 0.8617 |
| H2 | H | 8h | 8 | 0.0000 | 0.9560 | 0.7830 |
| N4 | N | 8h | 8 | 0.0000 | 0.0324 | 0.7295 |
| Cl1 | Cl | 8i | 8 | 0.2705 | 0.2500 | 0.4808 |
| H3 | H | 16j | 16 | 0.4219 | 0.5240 | 0.1660 |
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 16 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
A2B6C2D_oI44_74_i_hj_h_e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oI44, then the space-group number 74, then the Wyckoff letters occupied by each element in turn (Zn: 4e; H: 8h; N: 8h; Cl: 8i; H: 16j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Zn(NH₃)₂Br₂ <!--beginning with an
Note: E1₂.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6C2D_oI44_74_i_hj_h_e-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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