Molybdenum hexafluoride is made by direct reaction of molybdenum metal in an excess of elemental fluorine:[2] The compound hydrolyzes easily,[4] and typical impurities are MoO2F2 and MoOF4.

[6] In liquid and gas phase, MoF6 adopt octahedral molecular geometry with point group Oh.

The semiconductor industry constructs various integrated circuits through chemical vapor deposition of molybdenum hexafluoride.

[4] In some cases, the deposited molybdenum is an impurity in the intended tungsten hexafluoride.

MoF6 can be removed by reduction of a WF6-MoF6 mixture with any of a number of elements including hydrogen iodide at moderately elevated temperature.