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Yttrium trichloride YCl₃

Layered AB₃ (ccp anions) · space group C12/m1 (No. 12) · Z = 4

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Symmetry elements and Wyckoff positions (interactive)

Yttrium trichloride in C12/m1

Setting
Loading 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)

Atomxyz
Cl0.21100.00000.2470
Cl0.78900.00000.7530
Cl0.71100.50000.2470
Cl0.28900.50000.7530
Y0.00000.16600.0000
Y0.00000.83400.0000
Y0.50000.66600.0000
Y0.50000.33400.0000
Cl0.22900.17900.7600
Cl0.77100.17900.2400
Cl0.77100.82100.2400
Cl0.22900.82100.7600
Cl0.72900.67900.7600
Cl0.27100.67900.2400
Cl0.27100.32100.2400
Cl0.72900.32100.7600

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.

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