Materials Data on CuMoF6 by Materials Project
MoCuF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MoCuF6 ribbon oriented in the (1, 1, 1) direction. Mo5+ is bonded in a linear geometry to two equivalent F1- atoms. Both Mo–F bond lengths are 1.18 Å. Cu1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.90–2.56 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cu1+ atom.
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