Results for “Cd-F-Tb” | Engineering Papers

DOE OSTI2020

Materials Data on TbCdF6 by Materials Project

CdTbF6 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.23 Å) and four longer (2.39 Å) Tb–F bond lengths. Cd2+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.18 Å) and two longer (2.48 Å) Cd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Tb4+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TbCd2F8 by Materials Project

TbCd2F8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.21 Å) and four longer (2.40 Å) Tb–F bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cd–F bond distances ranging from 2.17–2.39 Å. In the second Cd2+ site, Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cd–F bond distances ranging from 2.17–2.39 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Tb4+ and two Cd2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Tb4+ and two Cd2+ atoms.

36 MATERIALS SCIENCE↗