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Materials Data on Sn3F8 by Materials Project

Sn3F8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sn3F8 sheet oriented in the (-1, 0, 2) direction. there are two inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Sn–F bond distances ranging from 2.15–2.71 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.03 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sn+2.67+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to two Sn+2.67+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two Sn+2.67+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn+2.67+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnF4 by Materials Project

SnF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two SnF4 sheets oriented in the (0, 0, 1) direction. Sn4+ is bonded to six F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.91 Å) and four longer (2.08 Å) Sn–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnF2 by Materials Project

SnF2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five F1- atoms to form distorted corner-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.10–2.52 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.13–2.67 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Sn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnF2 by Materials Project

SnF2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sn2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.13–2.37 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnF2 by Materials Project

SnF2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sn2+ is bonded in a rectangular see-saw-like geometry to four equivalent F1- atoms. There are two shorter (2.13 Å) and two longer (2.36 Å) Sn–F bond lengths. F1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnF3 by Materials Project

SnF3 is High-temperature superconductor-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six equivalent F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–F bond lengths are 2.01 Å. In the second Sn3+ site, Sn3+ is bonded to six equivalent F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–F bond lengths are 2.39 Å. F1- is bonded in a linear geometry to two Sn3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnF3 by Materials Project

SnF3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two SnF3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sn–F bond distances ranging from 1.96–2.12 Å. In the second Sn3+ site, Sn3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.46 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn3+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sn3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn3+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Sn3+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two Sn3+ atoms.

36 MATERIALS SCIENCE↗