Materials Data on CdNF3 by Materials Project
CdNF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedra tilt angles range from 24–42°. There are two shorter (2.16 Å) and four longer (2.37 Å) Cd–F bond lengths. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.76 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one N1+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cd2+ atoms.
36 MATERIALS SCIENCE↗