Materials Data on TiTeAs by Materials Project
TiAsTe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to four equivalent As2- and four equivalent Te2- atoms. All Ti–As bond lengths are 2.71 Å. There are two shorter (2.86 Å) and two longer (2.90 Å) Ti–Te bond lengths. As2- is bonded in a 6-coordinate geometry to four equivalent Ti4+ and two equivalent As2- atoms. There are one shorter (2.64 Å) and one longer (2.66 Å) As–As bond lengths. Te2- is bonded to four equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing TeTi4 tetrahedra.
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