Materials Data on NdSeF by Materials Project
NdSeF 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 Se2- and four equivalent F1- atoms. There are four shorter (3.03 Å) and one longer (3.09 Å) Nd–Se bond lengths. All Nd–F bond lengths are 2.57 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ and four equivalent F1- atoms. All Se–F bond lengths are 3.28 Å. F1- is bonded to four equivalent Nd3+ and four equivalent Se2- atoms to form a mixture of face and edge-sharing FNd4Se4 tetrahedra.