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DOE OSTI2020

Materials Data on ErBrO by Materials Project

ErOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ErOBr sheet oriented in the (0, 0, 1) direction. Er3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Er–O bond lengths are 2.22 Å. All Er–Br bond lengths are 3.19 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Er3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er2Br2O by Materials Project

Er2OBr2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Er2OBr2 cluster. Er is bonded in a linear geometry to one O and one Br atom. The Er–O bond length is 2.04 Å. The Er–Br bond length is 2.60 Å. O is bonded in a linear geometry to two equivalent Er atoms. Br is bonded in a single-bond geometry to one Er atom.

36 MATERIALS SCIENCE↗