DOI: 10.17188/1662189
title: Materials Data on K4Ce(S2O9)2 by Materials Project

description: K4Ce(S2O9)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.76–3.36 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.77–3.08 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.67–3.32 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.77–3.04 Å. Ce is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.51 Å. There are four inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. In the third S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.53 Å. In the fourth S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.53 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one K, one Ce, and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two K, one Ce, and one S atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one S atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two K, one Ce, and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K, one Ce, and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one K, one Ce, and one S atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two K, one Ce, and one S atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one K and one S atom. In the thirteenth O site, O is bonded in a 1-coordinate geometry to one K, one Ce, and one S atom. In the fourteenth O site, O is bonded in a 1-coordinate geometry to two K, one Ce, and one S atom. In the fifteenth O site, O is bonded in a 1-coordinate geometry to three K and one S atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the seventeenth O site, O is bonded in an L-shaped geometry to two K atoms. In the eighteenth O site, O is bonded in a T-shaped geometry to three K atoms.