Materials Data on Mo3H by Materials Project
(Mo)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Mo framework. In the Mo framework, there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to four equivalent Mo atoms. All Mo–Mo bond lengths are 2.63 Å. In the second Mo site, Mo is bonded in a body-centered cubic geometry to eight equivalent Mo atoms.
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