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DOE OSTI2020

Materials Data on YBrO by Materials Project

YOBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three YOBr sheets oriented in the (0, 0, 1) direction. Y3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Br1- atoms. All Y–O bond lengths are 2.30 Å. All Y–Br bond lengths are 2.96 Å. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YBrO by Materials Project

YOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one YOBr sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Y–O bond lengths are 2.24 Å. All Y–Br bond lengths are 3.21 Å. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗