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DOE OSTI2020

Materials Data on YbBr2 by Materials Project

YbBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.90 Å) and two longer (2.92 Å) Yb–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBr2 by Materials Project

YbBr2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are four shorter (2.90 Å) and two longer (2.92 Å) Yb–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBr2 by Materials Project

YbBr2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Yb2+ is bonded to seven Br1- atoms to form a mixture of distorted edge and corner-sharing YbBr7 pentagonal bipyramids. There are a spread of Yb–Br bond distances ranging from 2.91–3.06 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Yb2+ atoms to form a mixture of distorted edge and corner-sharing BrYb4 tetrahedra.

36 MATERIALS SCIENCE↗