Structure Re‐determination and Superconductivity Observation of Bulk 1T MoS₂

Abstract 2H MoS 2 has been intensively studied because of its layer‐dependent electronic structures and novel physical properties. Though the metastable 1T MoS 2 with a [MoS 6 ] octahedron was observed over the microscopic area, the true crystal structure of 1T phase has not been strictly determined. Moreover, the true physical properties have not been demonstrated from experiments owing to the challenge for the preparation of pure 1T MoS 2 crystals. 1T MoS 2 single crystals were successfully synthesized and the crystal structure of 1T MoS 2 re‐determined from single‐crystal X‐ray diffraction. 1T MoS 2 crystallizes in the space group P m1 with a cell of a=b=3.190(3) Å and c=5.945(6) Å. The individual MoS 2 layer consists of MoS 6 octahedra sharing edges with each other. More surprisingly, the bulk 1T MoS 2 crystals undergo a superconducting transition of T c =4 K, which is the first observation of superconductivity in pure 1T MoS 2 phase.