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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2020

Materials Data on Gd3(BrO3)2 by Materials Project

Gd3(O3Br)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one Gd3(O3Br)2 sheet oriented in the (0, 1, 0) direction. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to four O and four equivalent Br atoms. There are two shorter (2.26 Å) and two longer (2.27 Å) Gd–O bond lengths. There are two shorter (3.18 Å) and two longer (3.21 Å) Gd–Br bond lengths. In the second Gd site, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.38 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Gd atoms. In the second O site, O is bonded to four Gd atoms to form corner-sharing OGd4 tetrahedra. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Gd atoms. Br is bonded in a 4-coordinate geometry to two equivalent Gd atoms.

36 MATERIALS SCIENCE↗