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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbCl3 by Materials Project

TbCl3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TbCl3 sheets oriented in the (0, 1, 0) direction. Tb3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tb–Cl bond distances ranging from 2.67–2.94 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tb3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Tb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCl3 by Materials Project

TbCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.80 Å) and three longer (2.98 Å) Tb–Cl bond lengths. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCl3 by Materials Project

TbCl3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tb3+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing TbCl6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Tb–Cl bond distances ranging from 2.66–2.68 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Tb3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tb3+ atoms.

36 MATERIALS SCIENCE↗