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DOE OSTI2020

Materials Data on MnNF3 by Materials Project

(MnF3)2N2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional and consists of two ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Mn–F bond distances ranging from 1.88–2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNF3 by Materials Project

(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Mn–F bond distances ranging from 1.89–2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNF3 by Materials Project

(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Mn–F bond distances ranging from 1.89–2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.

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↗