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DOE OSTI · 1707986

Materials Data on Tl4PbSe3 by Materials Project

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Abstract

Tl4PbSe3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Tl1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.04–3.62 Å. Pb2+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.88–3.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Pb2+ atoms.

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36 MATERIALS SCIENCEcrystal structurePb-Se-TlTl4PbSe3

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2020-05-03. Materials Data on Tl4PbSe3 by Materials Project. https://doi.org/10.17188/1707986

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