Materials Data on KSrCO3F by Materials Project

Abstract

KSrCO3F crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to six equivalent O2- and three equivalent F1- atoms. All K–O bond lengths are 2.97 Å. All K–F bond lengths are 3.07 Å. Sr2+ is bonded to six equivalent O2- and two equivalent F1- atoms to form corner-sharing SrO6F2 hexagonal bipyramids. All Sr–O bond lengths are 2.67 Å. Both Sr–F bond lengths are 2.38 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+, two equivalent Sr2+, and one C4+ atom. F1- is bonded to three equivalent K1+ and two equivalent Sr2+ atoms to form corner-sharing FK3Sr2 trigonal bipyramids.