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DOE OSTI2020

Materials Data on K2Sn2O3 by Materials Project

K2Sn2O3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 3.07 Å. In the second K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.99 Å. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sn–O bond lengths are 2.07 Å. O2- is bonded to four K1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner and face-sharing OK4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K2Sn2O3 by Materials Project

K2Sn2O3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.90 Å) and three longer (3.03 Å) K–O bond lengths. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sn–O bond lengths are 2.09 Å. O2- is bonded to four equivalent K1+ and two equivalent Sn2+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 54–61°.

36 MATERIALS SCIENCE↗