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DOE OSTI2020

Materials Data on CeBrO by Materials Project

CeOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CeOBr sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Ce–O bond lengths are 2.35 Å. All Ce–Br bond lengths are 3.26 Å. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CeBrO by Materials Project

CeOBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three CeOBr sheets oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Br1- atoms. There are one shorter (2.36 Å) and three longer (2.38 Å) Ce–O bond lengths. All Ce–Br bond lengths are 3.04 Å. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗