Tantalum disulfide (2H) TaS₂

Unit cell

Lattice constants

a = 3.314 Å, b = 3.314 Å, c = 12.097 Å; α = 90°, β = 90°, γ = 120°

Cell volume

115.1 ų

Atoms in the cell

6 (Ta 2, S 4)

Formula units Z

2

Calculated density

7.07 g cm⁻³

Shortest contact

2.467 Å

Coordination

Ta

CN 6 at 2.47 Å (6 S)

S

CN 3 at 2.47 Å (3 Ta)

About the structure

• S–Ta–S sandwiches like MoS₂, with Ta in trigonal-prismatic coordination; the 2H polytype stacks two sandwiches per cell.
• The sheets host charge-density waves and superconductivity, and intercalation between them (Li, organic amines) tunes both — the classic intercalation host alongside TiS₂ and NbS₂.
• Coordinates from the Crystallography Open Database, entry 9007815 (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.