Materials Data on Mg2Mo2O5 by Materials Project

Mg2Mo2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.98–2.13 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- atoms to form corner-sharing MgO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.97–2.09 Å. There are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are three shorter (2.07 Å) and one longer (2.16 Å) Mo–O bond lengths. In the second Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.82–2.10 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Mo3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Mo3+ atoms to form corner-sharing OMg2Mo2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Mo3+ atoms to form corner-sharing OMg2Mo2 tetrahedra.