Materials Data on MoBr3 by Materials Project
MoBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two MoBr3 ribbons oriented in the (1, 0, 0) direction. Mo3+ is bonded to six Br1- atoms to form face-sharing MoBr6 octahedra. There are three shorter (2.57 Å) and three longer (2.63 Å) Mo–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 Mo3+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms.
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