Materials Data on SrCe2(SF2)2 by Materials Project

SrCe2(SF2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.49 Å) and four longer (2.50 Å) Sr–F bond lengths. Ce3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are a spread of Ce–S bond distances ranging from 2.87–2.96 Å. There are two shorter (2.59 Å) and two longer (2.61 Å) Ce–F bond lengths. S2- is bonded in a 5-coordinate geometry to five equivalent Ce3+ and four equivalent F1- atoms. There are two shorter (3.17 Å) and two longer (3.18 Å) S–F bond lengths. F1- is bonded to two equivalent Sr2+, two equivalent Ce3+, and two equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing FSr2Ce2S2 tetrahedra.