Materials Data on CaTbF6 by Materials Project
CaTbF6 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Ca2+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.24 Å) and two longer (2.49 Å) Ca–F bond lengths. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.22 Å) and four longer (2.40 Å) Tb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Ca2+ and two equivalent Tb4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Tb4+ atom.
36 MATERIALS SCIENCE↗