Materials Data on YbSeF by Materials Project
YbSeF crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a distorted hexagonal planar geometry to two equivalent Se2- and six equivalent F1- atoms. Both Yb–Se bond lengths are 3.29 Å. All Yb–F bond lengths are 2.32 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent Se2- atoms to form edge-sharing YbSe6 octahedra. All Yb–Se bond lengths are 2.86 Å. Se2- is bonded in a rectangular see-saw-like geometry to four Yb3+ atoms. F1- is bonded in a trigonal planar geometry to three equivalent Yb3+ atoms.
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