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41 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti(NF2)3 by Materials Project

TiNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one TiNF6 framework. In the TiNF6 framework, Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.91 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to one Ti3+ and one N1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(NF2)4 by Materials Project

ThF4(NF)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of eight monofluoroamine molecules and one ThF4 ribbon oriented in the (1, 0, 0) direction. In the ThF4 ribbon, Th4+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Th–F bond distances ranging from 2.11–2.40 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the fourth F1- site, F1- is bonded in a water-like geometry to two equivalent Th4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc(NF2)3 by Materials Project

(ScF3)2N2(NF)4F2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ammonia molecule, one hydrofluoric acid molecule, two monofluoroamine molecules, and one scandium fluoride molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(NF2)2 by Materials Project

NiF4N2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of four ammonia molecules and two NiF4 sheets oriented in the (0, 0, 1) direction. In each NiF4 sheet, Ni2+ is bonded to six F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.83 Å) and four longer (1.90 Å) Ni–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ni2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ni2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnN2F5 by Materials Project

(MnF3)2N2(NF2)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonia molecules; four difluoroamine molecules; and two MnF3 ribbons oriented in the (0, 1, 0) direction. In each MnF3 ribbon, Mn3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There is two shorter (1.80 Å) and two longer (1.93 Å) Mn–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mn3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms.

36 MATERIALS SCIENCE↗