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DOE OSTI2020

Materials Data on TmBrO by Materials Project

TmOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TmOBr sheet oriented in the (0, 0, 1) direction. Tm3+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.21 Å) and two longer (2.27 Å) Tm–O bond lengths. Both Tm–Br bond lengths are 2.80 Å. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmBrO by Materials Project

TmOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one TmOBr sheet oriented in the (0, 0, 1) direction. Tm3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Tm–O bond lengths are 2.20 Å. All Tm–Br bond lengths are 3.17 Å. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗