CH3NH3PbI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure consists of four methylammonium molecules inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 12-29°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Pb(1) atoms. In the second I site, I(2) is bonded in a bent 150 degrees geometry to two equivalent Pb(1) atoms.
CH3NH3PbI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure consists of four methylammonium molecules inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 12-29°. Both Pb(1)-I(1) bond lengths are 3.26 Å. There are two shorter (3.25 Å) and two longer (3.26 Å) Pb(1)-I(2) bond lengths. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Pb(1) atoms. In the second I site, I(2) is bonded in a bent 150 degrees geometry to two equivalent Pb(1) atoms.