Materials Data on Te7WBr5O by Materials Project

WOBr4(Te)5Te2Br crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of twenty tellurium molecules; four Te2Br clusters; and two WOBr4 ribbons oriented in the (1, 0, 0) direction. In each Te2Br cluster, Te+0.57+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.30 Å. Br1- is bonded in a distorted L-shaped geometry to two equivalent Te+0.57+ atoms. In each WOBr4 ribbon, W3+ is bonded to two equivalent O2- and four Br1- atoms to form distorted corner-sharing WBr4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.91 Å) and one longer (1.98 Å) W–O bond length. There are two shorter (2.56 Å) and two longer (2.57 Å) W–Br bond lengths. O2- is bonded in a linear geometry to two equivalent W3+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one W3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one W3+ atom.