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Materials Data on ZnOF by Materials Project

ZnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn is bonded to three equivalent O and three equivalent F atoms to form a mixture of corner and edge-sharing ZnO3F3 octahedra. The corner-sharing octahedral tilt angles are 55°. There are one shorter (2.01 Å) and two longer (2.02 Å) Zn–O bond lengths. There are one shorter (2.11 Å) and two longer (2.13 Å) Zn–F bond lengths. O is bonded in a trigonal planar geometry to three equivalent Zn atoms. F is bonded in a trigonal non-coplanar geometry to three equivalent Zn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zn(OF)2 by Materials Project

ZnF2O2 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of eight O2 ribbons oriented in the (1, 0, 0) direction and eight ZnF2 ribbons oriented in the (1, 0, 0) direction. In each O2 ribbon, O is bonded in a distorted trigonal planar geometry to two equivalent O atoms. Both O–O bond lengths are 1.55 Å. In each ZnF2 ribbon, Zn is bonded in a square co-planar geometry to four equivalent F atoms. All Zn–F bond lengths are 1.94 Å. F is bonded in an L-shaped geometry to two equivalent Zn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zn(OF)2 by Materials Project

ZnF2O2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and two ZnF2 ribbons oriented in the (1, 0, 0) direction. In each ZnF2 ribbon, Zn is bonded in a square co-planar geometry to four F atoms. All Zn–F bond lengths are 1.98 Å. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to two equivalent Zn atoms. In the second F site, F is bonded in a water-like geometry to two equivalent Zn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zn2O3F by Materials Project

Zn2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O and two equivalent F atoms to form ZnO4F2 octahedra that share corners with four equivalent ZnO5F octahedra and edges with four ZnO4F2 octahedra. The corner-sharing octahedra tilt angles range from 52–57°. There are a spread of Zn–O bond distances ranging from 1.94–2.05 Å. Both Zn–F bond lengths are 2.11 Å. In the second Zn site, Zn is bonded to five O and one F atom to form a mixture of corner and edge-sharing ZnO5F octahedra. The corner-sharing octahedra tilt angles range from 52–57°. There are a spread of Zn–O bond distances ranging from 1.99–2.08 Å. The Zn–F bond length is 2.07 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the third O site, O is bonded in a trigonal planar geometry to three Zn atoms. F is bonded in a distorted trigonal planar geometry to three Zn atoms.

36 MATERIALS SCIENCE↗