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DOE OSTI · 1317342

Materials Data on InPbCl3 by Materials Project

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Abstract

InPbCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. In1+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.96–3.01 Å. Pb2+ is bonded to six Cl1- atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedra tilt angles range from 13–16°. There are a spread of Pb–Cl bond distances ranging from 2.88–2.93 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a T-shaped geometry to one In1+ and two equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one In1+ and two equivalent Pb2+ atoms.

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36 MATERIALS SCIENCECl-In-Pbcrystal structureInPbCl3

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2020-07-23. Materials Data on InPbCl3 by Materials Project. https://doi.org/10.17188/1317342

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