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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mo2O5 by Materials Project

Mo2O5 crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one Mo2O5 sheet oriented in the (0, 1, 0) direction. Mo5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo2O5 by Materials Project

Mo2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mo5+ is bonded to five O2- atoms to form distorted corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.82–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Mo5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnMo2O5 by Materials Project

ZnMo2O5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Mo2O5 sheet oriented in the (0, 1, 0) direction and two zinc molecules. In the Mo2O5 sheet, there are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.07 Å. In the second Mo4+ site, Mo4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo4+ atom.

36 MATERIALS SCIENCE↗