Materials Data on YSeF by Materials Project

Abstract

YSeF crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 2-coordinate geometry to five equivalent Se2- and two equivalent F1- atoms. There are a spread of Y–Se bond distances ranging from 2.87–3.17 Å. There are one shorter (2.17 Å) and one longer (2.18 Å) Y–F bond lengths. Se2- is bonded to five equivalent Y3+ and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SeY5F3 hexagonal bipyramids. There are a spread of Se–F bond distances ranging from 3.00–3.18 Å. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Y3+ and three equivalent Se2- atoms.