Materials Data on Sr6In2NF by Materials Project

Abstract

Sr6In2NF is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent In, one N, and one F atom. All Sr–In bond lengths are 3.77 Å. The Sr–N bond length is 2.56 Å. The Sr–F bond length is 2.76 Å. In is bonded to twelve equivalent Sr atoms to form InSr12 cuboctahedra that share corners with twelve equivalent InSr12 cuboctahedra, faces with six equivalent InSr12 cuboctahedra, faces with four equivalent NSr6 octahedra, and faces with four equivalent FSr6 octahedra. N is bonded to six equivalent Sr atoms to form NSr6 octahedra that share corners with six equivalent FSr6 octahedra and faces with eight equivalent InSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. F is bonded to six equivalent Sr atoms to form FSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent InSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.