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DOE OSTI2020

Materials Data on ScBr2 by Materials Project

ScBr2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing ScBr6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.74 Å) and two longer (2.78 Å) Sc–Br bond lengths. Br1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ScBr3 by Materials Project

ScBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two ScBr3 ribbons oriented in the (0, 0, 1) direction. Sc3+ is bonded to six equivalent Br1- atoms to form distorted face-sharing ScBr6 pentagonal pyramids. All Sc–Br bond lengths are 2.68 Å. Br1- is bonded in an L-shaped geometry to two equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗