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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NiF2 by Materials Project

NiF2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent F1- atoms to form a mixture of edge and corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ni–F bond lengths. F1- is bonded in a distorted trigonal planar geometry to three equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiF3 by Materials Project

NiF3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ni–F bond lengths are 1.90 Å. In the second Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ni–F bond lengths are 1.93 Å. F1- is bonded in a bent 150 degrees geometry to two Ni3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiF3 by Materials Project

NiF3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ni–F bond lengths are 1.81 Å. In the second Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ni–F bond lengths are 2.01 Å. F1- is bonded in a distorted bent 150 degrees geometry to two Ni3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiF4 by Materials Project

NiF4 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two NiF4 clusters. Ni4+ is bonded in a square co-planar geometry to four F1- atoms. All Ni–F bond lengths are 1.75 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ni4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ni4+ atom.

36 MATERIALS SCIENCE↗