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The luminescent semiconductor Pb 7 I 6 (CN 2 ) 4 .

Albert T SchwarzMarkus StröbeleCarl P RomaoDavid EnselingThomas JüstelHans-Jürgen Meyer
Published in: Dalton transactions (Cambridge, England : 2003) (2024)
The development of new compounds in the domain of metal dinitridocarbonates is most efficiently performed via solid-state metathesis or simply by addition reactions. Our discovery of Pb 7 I 6 (CN 2 ) 4 is the result of a solid-state reaction of PbCN 2 with PbI 2 at 420 °C. Its crystal structure was solved and refined from X-ray diffraction data based on a single crystal with the space group P 6 3 / mmc . The crystal structure is based on a network of lead tetrahedra, lead trigonal bipyramids and lead octahedra interconnected by [NCN] 2- and iodide. Properties of the material were investigated by diffuse reflection measurement, photoluminescence measurements, and electronic band structure calculations demonstrating that this material is a semiconductor.
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