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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SnClF by Materials Project

SnClF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnClF ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one Cl1- and three equivalent F1- atoms. The Sn–Cl bond length is 2.55 Å. There are one shorter (2.28 Å) and two longer (2.40 Å) Sn–F bond lengths. Cl1- is bonded in a single-bond geometry to one Sn2+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn2ClF3 by Materials Project

Sn2ClF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three F1- atoms. There are one shorter (2.15 Å) and two longer (2.16 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three equivalent Cl1- and three F1- atoms. There are one shorter (3.18 Å) and two longer (3.19 Å) Sn–Cl bond lengths. All Sn–F bond lengths are 2.21 Å. Cl1- is bonded in a 12-coordinate geometry to three equivalent Sn2+ and nine F1- atoms. There are a spread of Cl–F bond distances ranging from 3.24–3.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnClF by Materials Project

SnClF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SnClF sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- and four equivalent F1- atoms. All Sn–Cl bond lengths are 3.06 Å. All Sn–F bond lengths are 2.52 Å. Cl1- is bonded in a 4-coordinate geometry to four equivalent Sn2+ atoms. F1- is bonded to four equivalent Sn2+ atoms to form a mixture of corner and edge-sharing FSn4 tetrahedra.

36 MATERIALS SCIENCE↗