Results for “RbF3” | Engineering Papers

DOE OSTI2020

Materials Data on RbF3 by Materials Project

RbF3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve F atoms to form a mixture of edge, face, and corner-sharing RbF12 cuboctahedra. There are four shorter (2.88 Å) and eight longer (2.98 Å) Rb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a 4-coordinate geometry to four equivalent Rb atoms. In the second F site, F is bonded in a square co-planar geometry to four equivalent Rb atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbF3 by Materials Project

RbF3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to twelve F atoms. There are a spread of Rb–F bond distances ranging from 2.89–3.28 Å. In the second Rb site, Rb is bonded to twelve F atoms to form a mixture of distorted corner and face-sharing RbF12 cuboctahedra. There are a spread of Rb–F bond distances ranging from 2.89–3.29 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the second F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the third F site, F is bonded in a 2-coordinate geometry to four Rb atoms. In the fourth F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the fifth F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the sixth F site, F is bonded in a 2-coordinate geometry to four Rb atoms.

36 MATERIALS SCIENCE↗