Materials Data on H5PbCI3N2 by Materials Project
HC(NH2)2PbI3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one iminomethanaminium molecule and one PbI3 framework. In the PbI3 framework, Pb2+ is bonded to six I1- atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Pb–I bond distances ranging from 3.16–3.26 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms. In the second I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms.
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