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Materials Data on RbPrF4 by Materials Project

RbPrF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.76–2.90 Å. Pr3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pr–F bond distances ranging from 2.33–2.57 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Pr3+ atoms to form distorted FRb2Pr2 tetrahedra that share corners with ten FRb2Pr2 tetrahedra and an edgeedge with one FRbPr3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr3+ atoms. In the third F1- site, F1- is bonded to one Rb1+ and three equivalent Pr3+ atoms to form FRbPr3 tetrahedra that share corners with eight FRb2Pr2 tetrahedra and edges with three FRbPr3 tetrahedra. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Pr3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Rb3PrF6 by Materials Project

Rb3PrF6 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 2.84 Å. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.55 Å. Pr3+ is bonded in an octahedral geometry to six F1- atoms. All Pr–F bond lengths are 2.32 Å. 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 Pr3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Rb1+ and one Pr3+ atom.

36 MATERIALS SCIENCE↗