Materials Data on Te2Ir by Materials Project

Kristin Persson
IrTe2 is Marcasite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ir4+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Ir–Te bond distances ranging from 2.64–2.77 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms....
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