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DOE OSTI · 1665229

Materials Data on Ca5Pb3 by Materials Project

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Abstract

Ca5Pb3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.41 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.66 Å. In the third Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.27–3.66 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms.

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36 MATERIALS SCIENCECa-PbCa5Pb3crystal structure

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2020-07-18. Materials Data on Ca5Pb3 by Materials Project. https://doi.org/10.17188/1665229

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DOE OSTI2026

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