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Materials Data on Rb3SmF6 by Materials Project

Rb3SmF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.57 Å. Sm3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.25 Å) and two longer (2.27 Å) Sm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Sm3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Rb1+ and one Sm3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RbSm3F10 by Materials Project

RbSm3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to sixteen F1- atoms to form distorted edge-sharing RbF16 tetrahedra. There are four shorter (2.90 Å) and twelve longer (3.34 Å) Rb–F bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.29 Å) and four longer (2.44 Å) Sm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Sm3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing FRbSm3 tetrahedra.

36 MATERIALS SCIENCE↗