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DOE OSTI2020

Materials Data on YClO by Materials Project

YOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Y–O bond lengths are 2.26 Å. There are four shorter (3.10 Å) and one longer (3.11 Å) Y–Cl bond lengths. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YClO by Materials Project

YOCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three YOCl sheets oriented in the (0, 0, 1) direction. Y3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Cl1- atoms. There are three shorter (2.29 Å) and one longer (2.30 Å) Y–O bond lengths. All Y–Cl bond lengths are 2.81 Å. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗