Abstract
The ternary selenide Ba12In4Se20 was synthesized by reaction of BaSe, In2Se3, and Se at 1023 K. Single-crystal X-ray diffraction revealed a trigonal structure (space group R3¯, Z = 6, a = 10.0360(6) Å, c = 78.286(4) Å at room temperature) consisting of one-dimensional stacks of InSe4 tetrahedra, In2Se7 double tetrahedra, selenide Se2– anions, and diselenide Se22– anions, with Ba2+ cations in the intervening spaces. The selenide Ba12In4Se20 can be derived from the corresponding sulfide Ba12In4S19 by replacing one monoatomic Ch2– anion with a diatomic Ch22– anion. An optical band gap of 1.70(2) eV, consistent with the dark red colour of the crystals, was deduced from the UV–vis–NIR diffuse reflectance spectrum.
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