CNPbI3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure consists of one hydrogen cyanide molecule inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two 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 linear geometry to two equivalent Pb(1) atoms.
CNPbI3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure consists of one hydrogen cyanide molecule inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There is one shorter (3.11 Å) and one longer (3.17 Å) Pb(1)-I(2) bond length. All Pb(1)-I(1) bond lengths are 3.16 Å. There are two 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 linear geometry to two equivalent Pb(1) atoms.