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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2SnC4O9 by Materials Project

K2SnC4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.28 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.71–2.90 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.41 Å. There are four inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the third C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the fourth C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sn2+, and one C+3.50+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one C+3.50+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the ninth O2- site, O2- is bonded in a distorted L-shaped geometry to two K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3SnC7O16 by Materials Project

K3SnC7O16 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.24 Å. In the second K1+ site, K1+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.00 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.36 Å. Sn2+ is bonded in a pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.19 Å. There are seven inequivalent C+3.86+ sites. In the first C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.30 Å) C–O bond length. In the third C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the fourth C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.30 Å) C–O bond length. In the fifth C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the sixth C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the seventh C+3.86+ site, C+3.86+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Sn2+, and one C+3.86+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two K1+ and one C+3.86+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sn2+, and one C+3.86+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.86+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Sn2+, and one C+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.86+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sn2+, and one C+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one C+3.86+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Sn2+, and one C+3.86+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Sn2+, and one C+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Sn2+, and one C+3.86+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to three K1+ and one C+3.86+ atom.

36 MATERIALS SCIENCE↗