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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb3Mo by Materials Project

Rb3Mo is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to four equivalent Rb and four equivalent Mo atoms. All Rb–Rb bond lengths are 4.30 Å. All Rb–Mo bond lengths are 4.30 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Mo atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Mo4 cuboctahedra. All Rb–Mo bond lengths are 4.55 Å. Mo is bonded in a distorted body-centered cubic geometry to twelve Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Mo by Materials Project

Rb3Mo is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Mo atoms to form a mixture of distorted edge, face, and corner-sharing RbRb4Mo4 tetrahedra. All Rb–Rb bond lengths are 4.23 Å. All Rb–Mo bond lengths are 4.23 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Mo is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗