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DOE OSTI2020

Materials Data on HoBrO by Materials Project

HoOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one HoOBr sheet oriented in the (0, 0, 1) direction. Ho3+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.24 Å) and two longer (2.30 Å) Ho–O bond lengths. Both Ho–Br bond lengths are 2.83 Å. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoBrO by Materials Project

HoOBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three HoOBr sheets oriented in the (0, 0, 1) direction. Ho3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Br1- atoms. There are one shorter (2.26 Å) and three longer (2.28 Å) Ho–O bond lengths. All Ho–Br bond lengths are 2.93 Å. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗