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DOE OSTI · 1656192

Materials Data on Ga2PbSe4 by Materials Project

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Abstract

PbGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.44–2.48 Å. Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.25 Å) and four longer (3.29 Å) Pb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Ga3+ and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Ga3+ and two equivalent Pb2+ atoms.

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36 MATERIALS SCIENCEcrystal structureGa-Pb-SeGa2PbSe4

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2020-07-15. Materials Data on Ga2PbSe4 by Materials Project. https://doi.org/10.17188/1656192

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