10.1021/ic951641b.s001 Jason A. Cody Jason A. Cody James A. Ibers James A. Ibers Synthesis and Structure of the Layered Thorium Telluride CsTh<sub>2</sub>Te<sub>6</sub> American Chemical Society 1996 formula units 113 K UTe 2 crystallographically equivalent sites ThTe 8 compound crystallizes reactive flux semiconducting behavior Te atoms space group Simple formalisms CsTh 2 Te 6 oxidation state Layered Thorium Telluride CsTh 2 Te 6 compound CsTh 2 Te 6 1996-06-19 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Synthesis_and_Structure_of_the_Layered_Thorium_Telluride_CsTh_sub_2_sub_Te_sub_6_sub_/3615327 The compound CsTh<sub>2</sub>Te<sub>6</sub> has been synthesized at 800 °C by the reaction of Th with a Cs<sub>2</sub>Te<sub>3</sub>/Te melt as a reactive flux. The compound crystallizes in the space group -<i>Cmcm</i> of the orthorhombic system with two formula units in a cell of dimensions <i>a</i> = 4.367(2) Å, <i>b</i> = 25.119(10) Å, <i>c</i> = 6.140(3) Å, and <i>V</i> = 673.5(5) Å<sup>3</sup> at <i>T</i> = 113 K. The structure of CsTh<sub>2</sub>Te<sub>6</sub> has been determined from single-crystal X-ray data. The structure comprises infinite, two-dimensional double layers of ThTe<sub>8</sub>-bicapped trigonal prisms. The structural motif of the trigonal prisms resembles that found in UTe<sub>2</sub>. Cs<sup>+</sup> cations, disordered equally over two crystallographically equivalent sites, separate the layers and are coordinated by eight Te atoms at the corners of a rectangular parallelepiped. Short Te−Te distances of 3.052(3) and 3.088(3) Å form linear, infinite, one-dimensional chains within the layers. Simple formalisms describe neither the Te−Te bonding in the chain nor the oxidation state of Th. The compound shows weak semiconducting behavior along the Th/Te layers perpendicular to the Te−Te chain.