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Results for “F-Ga-H-N”

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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaH4NF4 by Materials Project

GaF4NH4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four ammonium molecules and two GaF4 sheets oriented in the (0, 0, 1) direction. In each GaF4 sheet, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.87 Å) and four longer (1.95 Å) Ga–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaH3NF3 by Materials Project

GaNH3F3 crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of two GaNH3F3 sheets oriented in the (0, 1, 0) direction. Ga3+ is bonded to one N3- and five F1- atoms to form corner-sharing GaNF5 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. The Ga–N bond length is 1.98 Å. There are a spread of Ga–F bond distances ranging from 1.87–1.97 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Ga3+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaH5(NF)2 by Materials Project

GaH5(NF)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two GaH5(NF)2 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to two equivalent N3- and four equivalent F1- atoms to form corner-sharing GaN2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Ga–N bond lengths are 1.85 Å. All Ga–F bond lengths are 2.19 Å. In the second Ga3+ site, Ga3+ is bonded to two equivalent N3- and four equivalent F1- atoms to form corner-sharing GaN2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Ga–N bond lengths are 2.01 Å. All Ga–F bond lengths are 1.99 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ga3+ and two H1+ atoms. Both N–H bond lengths are 1.01 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ga3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. F1- is bonded in a distorted bent 150 degrees geometry to two Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaH7(NF2)2 by Materials Project

GaNH3F4NH4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four ammonium molecules and two GaNH3F4 ribbons oriented in the (0, 0, 1) direction. In each GaNH3F4 ribbon, there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to two equivalent N3- and four F1- atoms to form corner-sharing GaN2F4 octahedra. The corner-sharing octahedral tilt angles are 38°. Both Ga–N bond lengths are 2.05 Å. There is two shorter (1.89 Å) and two longer (2.04 Å) Ga–F bond length. In the second Ga3+ site, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There is four shorter (1.93 Å) and two longer (1.97 Å) Ga–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Ga3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Ga3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaH6N2F3 by Materials Project

GaN2H6F3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two GaN2H6F3 ribbons oriented in the (0, 1, 0) direction. Ga3+ is bonded to two equivalent N3- and four F1- atoms to form corner-sharing GaN2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ga–N bond lengths are 2.02 Å. There is two shorter (1.93 Å) and two longer (2.02 Å) Ga–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Ga3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗