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An extremely large displacement of the indium site in In-S 6 octahedra in LnOInS 2 (Ln = La, Ce, and Pr) was found in synchrotron X-ray diffraction. LaOInS 2 with off-center indium in In-S 6 octahedra exhibited a wider optical band gap than CeOInS 2 and PrOInS 2 with on-center indium. Therefore, the electronic structure of LnOInS 2 is governed by the indium site with an extremely large displacement. All LnOInS 2 produced H 2 gas under visible light irradiation in the presence of sacrificial electron donors.

An electronic structure governed by the displacement of the indium site in In–S6 octahedra: LnOInS2 (Ln = La, Ce, and Pr)

An electronic structure governed by the displacement of the indium site in In–S₆ octahedra: LnOInS₂ (Ln = La, Ce, and Pr)