Materials Data on K2SrCl4 by Materials Project

Abstract

K2SrCl4 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.07–3.57 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.07–3.50 Å. Sr2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.94–3.63 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and two equivalent Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Sr2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Sr2+ atoms.