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DOE OSTI · 1721977

Materials Data on H12PbN3Cl5 by Materials Project

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Abstract

(NH4)3PbCl5 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of twelve ammonium molecules and two PbCl5 ribbons oriented in the (1, 0, 0) direction. In each PbCl5 ribbon, Pb2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.77–3.25 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pb2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pb2+ atom.

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36 MATERIALS SCIENCECl-H-N-Pbcrystal structureH12PbN3Cl5

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2020-04-29. Materials Data on H12PbN3Cl5 by Materials Project. https://doi.org/10.17188/1721977

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DOE OSTI2026

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