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DOE OSTI2020

Materials Data on DyBr2 by Materials Project

DyBr2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven Br atoms. There are a spread of Dy–Br bond distances ranging from 2.90–3.22 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded to four equivalent Dy atoms to form a mixture of distorted corner and edge-sharing BrDy4 tetrahedra. In the second Br site, Br is bonded in a trigonal planar geometry to three equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBr3 by Materials Project

DyBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two DyBr3 ribbons oriented in the (0, 0, 1) direction. Dy3+ is bonded to six equivalent Br1- atoms to form distorted face-sharing DyBr6 pentagonal pyramids. All Dy–Br bond lengths are 2.83 Å. Br1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBr2 by Materials Project

DyBr2 is trigonal omega-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Dy is bonded to six equivalent Br atoms to form a mixture of edge and corner-sharing DyBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.89 Å) and two longer (2.90 Å) Dy–Br bond lengths. Br is bonded in a 3-coordinate geometry to three equivalent Dy atoms.

36 MATERIALS SCIENCE↗