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DOE OSTI2020

Materials Data on YBr3 by Materials Project

YBr3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YBr3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded to six Br1- atoms to form edge-sharing YBr6 octahedra. All Y–Br bond lengths are 2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Y3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YBr3 by Materials Project

YBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two YBr3 ribbons oriented in the (0, 0, 1) direction. Y3+ is bonded to six equivalent Br1- atoms to form distorted face-sharing YBr6 pentagonal pyramids. All Y–Br bond lengths are 2.83 Å. Br1- is bonded in an L-shaped geometry to two equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗