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DOE OSTI2020

Materials Data on TmClO by Materials Project

TmOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TmOCl sheet oriented in the (0, 0, 1) direction. Tm3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing TmCl2O4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.21 Å) and two longer (2.27 Å) Tm–O bond lengths. Both Tm–Cl bond lengths are 2.64 Å. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmClO by Materials Project

TmOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tm3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Tm–O bond lengths are 2.21 Å. There are four shorter (3.05 Å) and one longer (3.12 Å) Tm–Cl bond lengths. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmClO by Materials Project

TmOCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TmOCl sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Cl1- atoms. There are three shorter (2.24 Å) and one longer (2.26 Å) Tm–O bond lengths. All Tm–Cl bond lengths are 2.77 Å. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗