Materials Data on NdSI by Materials Project
NdSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Nd3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are one shorter (2.84 Å) and three longer (2.85 Å) Nd–S bond lengths. There are a spread of Nd–I bond distances ranging from 3.26–3.47 Å. S2- is bonded to four equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms.
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