Materials Data on H3F2 by Materials Project

Abstract

H2(HF)4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one hydrogen molecule and two HF ribbons oriented in the (0, 1, 0) direction. In each HF ribbon, there are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two F atoms. There is one shorter (0.99 Å) and one longer (1.44 Å) H–F bond length. In the second H site, H is bonded in a linear geometry to two F atoms. There is one shorter (0.99 Å) and one longer (1.45 Å) H–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two H atoms. In the second F site, F is bonded in a bent 120 degrees geometry to two H atoms.