Materials Data on YBi(OF)2 by Materials Project

Abstract

YBi(OF)2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Y–O bond lengths are 2.43 Å. All Y–F bond lengths are 2.32 Å. Bi3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Bi–O bond lengths are 2.40 Å. All Bi–F bond lengths are 2.52 Å. O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form distorted corner-sharing OY2Bi2 tetrahedra. F1- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Bi3+ atoms.