Materials Data on UNi(OF2)3 by Materials Project

Abstract

UNi(OF2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U is bonded in a 1-coordinate geometry to one O and eight F atoms. The U–O bond length is 1.84 Å. There are a spread of U–F bond distances ranging from 2.16–2.60 Å. Ni is bonded in an octahedral geometry to two equivalent O and four F atoms. Both Ni–O bond lengths are 1.95 Å. There are two shorter (2.03 Å) and two longer (2.04 Å) Ni–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one U atom. There are three inequivalent F sites. In the first F site, F is bonded in a distorted bent 150 degrees geometry to one U and one Ni atom. In the second F site, F is bonded in a distorted bent 120 degrees geometry to one U and one Ni atom. In the third F site, F is bonded in a distorted bent 120 degrees geometry to two equivalent U atoms.