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DOE OSTI2020

Materials Data on ScBrO by Materials Project

ScOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ScOBr sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.10 Å) and two longer (2.16 Å) Sc–O bond lengths. Both Sc–Br bond lengths are 2.68 Å. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ScBrO by Materials Project

ScOBr crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ScOBr sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Sc–O bond lengths are 2.09 Å. All Sc–Br bond lengths are 3.07 Å. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing OSc4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗