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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Te2AuCl by Materials Project

AuTe2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Au5+ is bonded in a 5-coordinate geometry to four equivalent Te2- and one Cl1- atom. All Au–Te bond lengths are 2.73 Å. The Au–Cl bond length is 3.15 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Au5+, one Te2-, and three equivalent Cl1- atoms. The Te–Te bond length is 2.81 Å. There are one shorter (3.28 Å) and two longer (3.44 Å) Te–Cl bond lengths. Cl1- is bonded in a 7-coordinate geometry to one Au5+ and six equivalent Te2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeAuCl7 by Materials Project

AuTeCl7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AuTeCl7 cluster. Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. Te4+ is bonded in a 3-coordinate geometry to five Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.35–3.00 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Au3+ and one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.

36 MATERIALS SCIENCE↗