Materials Data on TcO3F by Materials Project

Abstract

TcO3F crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TcO3F sheet oriented in the (1, 0, 0) direction. Tc7+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Tc–O bond distances ranging from 1.70–2.38 Å. There are one shorter (2.07 Å) and one longer (2.19 Å) Tc–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tc7+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. F1- is bonded in a distorted water-like geometry to two equivalent Tc7+ atoms.