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DOE OSTI · 1406099

Materials Data on H4PbI3N by Materials Project

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Abstract

NH4PbI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one ammonium 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 2–3°. There are two shorter (3.18 Å) and four longer (3.19 Å) Pb–I bond lengths. 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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36 MATERIALS SCIENCEcrystal structureH-I-N-PbH4PbI3N

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2020-07-22. Materials Data on H4PbI3N by Materials Project. https://doi.org/10.17188/1406099

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