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DOE OSTI2020

Materials Data on Tc2O7 by Materials Project

Tc2O7 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four Tc2O7 clusters. Tc7+ is bonded to four O2- atoms to form corner-sharing TcO4 tetrahedra. There is three shorter (1.71 Å) and one longer (1.87 Å) Tc–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Tc7+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TcO2 by Materials Project

TcO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tc4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TcO6 octahedra. The corner-sharing octahedra tilt angles range from 40–50°. There are a spread of Tc–O bond distances ranging from 1.95–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Tc4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Tc4+ atoms.

36 MATERIALS SCIENCE↗