Materials Data on Ba(InTe2)2 by Materials Project
Ba(InTe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.64 Å) and four longer (3.69 Å) Ba–Te bond lengths. In3+ is bonded to four Te2- atoms to form edge-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.87 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2In2 trigonal pyramids.
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