Materials Data on Th3S by Materials Project
Th3S is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent S atoms to form a mixture of distorted edge and corner-sharing ThS4 cuboctahedra. All Th–S bond lengths are 3.41 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent S atoms. All Th–S bond lengths are 3.30 Å. S is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing STh12 cuboctahedra.
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