Niobium disulfide (3R) NbS₂

Unit cell

Lattice constants

a = 3.330 Å, b = 3.330 Å, c = 17.800 Å; α = 90°, β = 90°, γ = 120°

Cell volume

170.9 ų

Atoms in the cell

9 (S 6, Nb 3)

Formula units Z

3

Calculated density

1.87 g cm⁻³

Shortest contact

2.428 Å

Coordination

S

CN 3 at 2.43 Å (3 Nb)

Nb

CN 6 at 2.43 Å (6 S)

About the structure

• Trigonal-prismatic NbS₂ sandwiches stacked with a three-layer rhombohedral repeat (3R), the polytype that differs from 2H only in how successive sandwiches are offset.
• Exfoliates to monolayers like MoS₂ but is metallic and superconducting; a comparison pair with TaS₂ in this lab for stacking polytypes.
• Coordinates from the Crystallography Open Database, entry 1538044 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.

Atom positions (fractional, one cell)

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