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DOE OSTI2020

Materials Data on Rb3Mn by Materials Project

Rb3Mn 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 to eight Rb and four equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Mn4 cuboctahedra. There are four shorter (4.38 Å) and four longer (4.53 Å) Rb–Rb bond lengths. All Rb–Mn bond lengths are 4.38 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Rb atoms. Mn is bonded in a 8-coordinate geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Mn by Materials Project

Rb3Mn 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 Mn atoms to form a mixture of distorted face, edge, and corner-sharing RbRb4Mn4 tetrahedra. All Rb–Rb bond lengths are 4.24 Å. All Rb–Mn bond lengths are 4.24 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Mn is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗