Materials Data on NdSF by Materials Project
NdSF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.91 Å) and four longer (2.93 Å) Nd–S bond lengths. All Nd–F bond lengths are 2.55 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ and four equivalent F1- atoms. All S–F bond lengths are 3.16 Å. F1- is bonded to four equivalent Nd3+ and four equivalent S2- atoms to form a mixture of distorted edge and face-sharing FNd4S4 tetrahedra.
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