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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TcBr3 by Materials Project

TcBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (1, 0, 0) direction. Tc3+ is bonded to six Br1- atoms to form face-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.53–2.57 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcBr4 by Materials Project

TcBr4 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four TcBr4 ribbons oriented in the (1, 0, 0) direction. Tc4+ is bonded to six Br1- atoms to form edge-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.42–2.66 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc4+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Tc4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Tc4+ atom. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcBr3 by Materials Project

TcBr3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (0, 0, 1) direction. Tc3+ is bonded to six equivalent Br1- atoms to form face-sharing TcBr6 octahedra. All Tc–Br bond lengths are 2.54 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗