Materials Data on NbPS by Materials Project
NbPS crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent S2- atoms. All Nb–P bond lengths are 2.61 Å. There are two shorter (2.60 Å) and two longer (2.62 Å) Nb–S bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Nb5+ and two equivalent P3- atoms. There are one shorter (2.24 Å) and one longer (2.50 Å) P–P bond lengths. S2- is bonded to four equivalent Nb5+ atoms to form a mixture of distorted edge and corner-sharing SNb4 tetrahedra.
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