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Materials Data on GdBrO by Materials Project

GdOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one GdOBr sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Gd–O bond lengths are 2.28 Å. All Gd–Br bond lengths are 3.22 Å. O2- is bonded to four equivalent Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on GdBrO2 by Materials Project

GdO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to six O and three equivalent Br atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.35 Å. There are one shorter (3.15 Å) and two longer (3.28 Å) Gd–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Gd atoms.

36 MATERIALS SCIENCE↗