Materials Data on CsTlO by Materials Project
CsTlO is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two CsTlO sheets oriented in the (1, 0, 0) direction. Cs1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are two shorter (3.00 Å) and one longer (3.04 Å) Cs–O bond lengths. Tl1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are one shorter (2.37 Å) and two longer (2.51 Å) Tl–O bond lengths. O2- is bonded to three equivalent Cs1+ and three equivalent Tl1+ atoms to form edge-sharing OCs3Tl3 octahedra.
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