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DOE OSTI · 1196437

Materials Data on KPb2 by Materials Project

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Abstract

KPb2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Pb atoms. There are nine shorter (3.96 Å) and three longer (4.00 Å) K–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent K and six equivalent Pb atoms to form a mixture of face, edge, and corner-sharing PbK6Pb6 cuboctahedra. All Pb–Pb bond lengths are 3.39 Å. In the second Pb site, Pb is bonded to six equivalent K and six Pb atoms to form a mixture of face, edge, and corner-sharing PbK6Pb6 cuboctahedra. There are two shorter (3.35 Å) and two longer (3.40 Å) Pb–Pb bond lengths.

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36 MATERIALS SCIENCEcrystal structureK-PbKPb2

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2020-07-15. Materials Data on KPb2 by Materials Project. https://doi.org/10.17188/1196437

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