PbI3CNH3F3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. The structure consists of one trifluoromethylazanium molecule inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 7-19°. There are three inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the second I site, I(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Pb(1) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Pb(1) atoms.
PbI3CNH3F3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. The structure consists of one trifluoromethylazanium molecule inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 7-19°. There is one shorter (3.09 Å) and one longer (3.39 Å) Pb(1)-I(1) bond length. There is one shorter (3.28 Å) and one longer (3.36 Å) Pb(1)-I(2) bond length. Both Pb(1)-I(3) bond lengths are 3.27 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the second I site, I(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Pb(1) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Pb(1) atoms.