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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2SnF6 by Materials Project

K2SnF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent SnF6 octahedra. All K–F bond lengths are 3.05 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share faces with eight equivalent KF12 cuboctahedra. All Sn–F bond lengths are 2.00 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SnH2OF6 by Materials Project

K2SnF6H2O crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of sixteen water molecules and one K2SnF6 framework. In the K2SnF6 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.86–3.13 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are four shorter (2.67 Å) and two longer (2.69 Å) K–F bond lengths. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.00 Å) and two longer (2.01 Å) Sn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗