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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdTcO3 by Materials Project

TcCdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are four shorter (2.04 Å) and two longer (2.06 Å) Tc–O bond lengths. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Tc4+ and three equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Tc4+ and two equivalent Cd2+ atoms to form distorted corner-sharing OCd2Tc2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2Tc2O7 by Materials Project

Tc2Cd2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tc5+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and edges with six equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. All Tc–O bond lengths are 1.96 Å. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent CdO8 hexagonal bipyramids and edges with six equivalent TcO6 octahedra. There are two shorter (2.24 Å) and six longer (2.62 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tc5+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to four equivalent Cd2+ atoms to form corner-sharing OCd4 tetrahedra.

36 MATERIALS SCIENCE↗