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DOE OSTI2020

Materials Data on NpF6 by Materials Project

NpF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexafluoroneptunium molecules. Np6+ is bonded in an octahedral geometry to six F1- atoms. All Np–F bond lengths are 2.01 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Np6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Np6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Np6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Np6+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NpF5 by Materials Project

NpF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two NpF5 ribbons oriented in the (0, 0, 1) direction. Np5+ is bonded to six F1- atoms to form corner-sharing NpF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.02 Å) and two longer (2.25 Å) Np–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Np5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Np5+ atoms.

36 MATERIALS SCIENCE↗