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DOE OSTI2020

Materials Data on Te2AuI by Materials Project

AuTe2I crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Au5+ is bonded in a distorted square co-planar geometry to four equivalent Te2- and two equivalent I1- atoms. All Au–Te bond lengths are 2.74 Å. Both Au–I bond lengths are 3.44 Å. Te2- is bonded in a 2-coordinate geometry to two equivalent Au5+ and four equivalent I1- atoms. There are two shorter (3.76 Å) and two longer (3.99 Å) Te–I bond lengths. I1- is bonded in a 12-coordinate geometry to two equivalent Au5+ and eight equivalent Te2- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TeAuI by Materials Project

AuTeI crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one AuTeI sheet oriented in the (0, 0, 1) direction. Au3+ is bonded in a 4-coordinate geometry to three equivalent Te2- and one I1- atom. There are a spread of Au–Te bond distances ranging from 2.68–2.73 Å. The Au–I bond length is 2.73 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Au3+ and one I1- atom. The Te–I bond length is 3.60 Å. I1- is bonded in a 2-coordinate geometry to one Au3+ and one Te2- atom.

36 MATERIALS SCIENCE↗