Crystal Lab › Prototype structures › Orthorhombic
(NH₄)CdCl₃ (E2₄)
Orthorhombic · space group Pnma (No. 62) · Pearson oP20 · Strukturbericht E24
Symmetry elements and Wyckoff positions (interactive)
(NH₄)CdCl₃ (E2₄) in Pnma
SettingUnit cell
- Lattice constants
- a = 8.960 Å, b = 3.970 Å, c = 14.870 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 528.9 ų
- Atoms in the conventional cell
- 20 (Cd 4, Cl 12, N 4)
- Formula units Z
- 4
- Pearson symbol
- oP20 — orthorhombic, primitive lattice, 20 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cd1 | Cd | 4c | 4 | 0.6650 | 0.2500 | 0.9460 |
| Cl2 | Cl | 4c | 4 | 0.7840 | 0.2500 | 0.7850 |
| Cl3 | Cl | 4c | 4 | 0.6670 | 0.2500 | 0.5040 |
| Cl4 | Cl | 4c | 4 | 0.5260 | 0.2500 | 0.1020 |
| NH5 | N | 4c | 4 | 0.9300 | 0.2500 | 0.1800 |
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 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
AB3C_oP20_62_c_3c_c-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 62, then the Wyckoff letters occupied by each element in turn (Cd: 4c; Cl: 4c; Cl: 4c; Cl: 4c; N: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CeCrS₃, CeCrSe₃, LaCrS₃, NdCrS₃, PbSnS₃, RbCdBr₃, RbCdCl₃, SmCrS₃, (Ti, Sn)₂S₃ <!--beginning with an
Note: E2₄.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3C_oP20_62_c_3c_c-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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