Materials Data on TcSb(OF4)2 by Materials Project

Abstract

TcSb(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two TcSb(OF4)2 ribbons oriented in the (0, 1, 0) direction. Tc7+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. Both Tc–O bond lengths are 1.68 Å. There are a spread of Tc–F bond distances ranging from 1.84–2.28 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.99 Å. There are two 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 single-bond geometry to one Tc7+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one Tc7+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tc7+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.