Materials Data on CsInF3 by Materials Project
CsInF3 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight InF6 octahedra. All Cs–F bond lengths are 3.40 Å. There are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.67 Å. In the second In2+ site, In2+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two In2+ atoms.