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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Zn5Zn4e40.00000.25000.8617
H2H8h80.00000.95600.7830
N4N8h80.00000.03240.7295
Cl1Cl8i80.27050.25000.4808
H3H16j160.42190.52400.1660

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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