Materials Data on RuBr3 by Materials Project

Abstract

RuBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two RuBr3 ribbons oriented in the (1, 0, 0) direction. Ru3+ is bonded to six Br1- atoms to form face-sharing RuBr6 octahedra. There are two shorter (2.51 Å) and four longer (2.52 Å) Ru–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms.