Materials Data on KSnO2 by Materials Project
KSnO2 is Krennerite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four 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 2.79–3.29 Å. In the second 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 2.64–2.88 Å. In the third 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 2.64–2.89 Å. In the fourth 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 2.80–3.31 Å. There are four inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.08–2.14 Å. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.29 Å. In the third Sn3+ site, Sn3+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.08–2.29 Å. In the fourth Sn3+ site, Sn3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.08–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to two K1+ and three Sn3+ atoms to form a mixture of distorted edge and corner-sharing OK2Sn3 square pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two Sn3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two Sn3+ atoms. In the fourth O2- site, O2- is bonded to three K1+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OK3Sn2 square pyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two Sn3+ atoms. In the sixth O2- site, O2- is bonded to two K1+ and three Sn3+ atoms to form distorted OK2Sn3 square pyramids that share corners with five OK3Sn2 square pyramids and edges with two OK2Sn3 square pyramids. In the seventh O2- site, O2- is bonded to three K1+ and two Sn3+ atoms to form distorted OK3Sn2 square pyramids that share corners with five OK2Sn3 square pyramids and edges with three OK3Sn2 square pyramids. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two Sn3+ atoms.