Materials Data on KSm2Cl5 by Materials Project

Abstract

KSm2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 2.98–3.83 Å. There are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.82–3.12 Å. In the second Sm2+ site, Sm2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.76–3.54 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent K1+ and two equivalent Sm2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sm2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sm2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and three Sm2+ atoms.