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DOE OSTI · 1317340

Materials Data on InPbCl3 by Materials Project

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Abstract

InPbCl3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InPbCl3 sheet oriented in the (0, 0, 1) direction. In1+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. There are one shorter (3.12 Å) and one longer (3.13 Å) In–Cl bond lengths. Pb2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.92 Å) and four longer (2.93 Å) Pb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent In1+ and two equivalent Pb2+ atoms to form distorted corner-sharing ClIn2Pb2 tetrahedra. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms.

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36 MATERIALS SCIENCECl-In-Pbcrystal structureInPbCl3

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2020-07-22. Materials Data on InPbCl3 by Materials Project. https://doi.org/10.17188/1317340

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