Crystal Lab › Semiconductors & layered solids
Yttrium trichloride YCl₃
Layered AB₃ (ccp anions) · space group C12/m1 (No. 12) · Z = 4
Symmetry elements and Wyckoff positions (interactive)
Yttrium trichloride in C12/m1
SettingLoading the group…
x = 0.10, y = 0.17, z = 0.08
Unit cell
- Lattice constants
- a = 6.920 Å, b = 11.940 Å, c = 6.440 Å; α = 90°, β = 111°, γ = 90°
- Cell volume
- 496.8 ų
- Atoms in the cell
- 16 (Cl 12, Y 4)
- Formula units Z
- 4
- Calculated density
- 2.61 g cm⁻³
- Shortest contact
- 2.585 Å
Coordination
- Cl
- CN 2 at 2.63 Å (2 Y)
- Y
- CN 6 at 2.58 Å (6 Cl)
About the structure
- Cubic close-packed Cl⁻ with Y³⁺ in two-thirds of the octahedral holes of alternate layers (the AlCl₃ type): the ccp counterpart of the hcp BiI₃ structure.
- Each YCl₆ octahedron shares three edges with its neighbours in a honeycomb sheet; the monoclinic C2/m cell is a slight distortion of the ideal hexagonal layer.
- Coordinates from the Crystallography Open Database, entry 1528118 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| Cl | 0.2110 | 0.0000 | 0.2470 |
| Cl | 0.7890 | 0.0000 | 0.7530 |
| Cl | 0.7110 | 0.5000 | 0.2470 |
| Cl | 0.2890 | 0.5000 | 0.7530 |
| Y | 0.0000 | 0.1660 | 0.0000 |
| Y | 0.0000 | 0.8340 | 0.0000 |
| Y | 0.5000 | 0.6660 | 0.0000 |
| Y | 0.5000 | 0.3340 | 0.0000 |
| Cl | 0.2290 | 0.1790 | 0.7600 |
| Cl | 0.7710 | 0.1790 | 0.2400 |
| Cl | 0.7710 | 0.8210 | 0.2400 |
| Cl | 0.2290 | 0.8210 | 0.7600 |
| Cl | 0.7290 | 0.6790 | 0.7600 |
| Cl | 0.2710 | 0.6790 | 0.2400 |
| Cl | 0.2710 | 0.3210 | 0.2400 |
| Cl | 0.7290 | 0.3210 | 0.7600 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
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Open Yttrium trichloride in the 3D viewer → · All structures